Detailed information for compound 41329

Basic information

Technical information
  • TDR Targets ID: 41329
  • Name: (2-(Octahydro-1-azocinyl)ethyl)guanidine
  • MW: 198.308 | Formula: C10H22N4
  • H donors: 2 H acceptors: 0 LogP: 0.84 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)NCCN1CCCCCCC1
  • InChi: 1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)
  • InChiKey: ACGDKVXYNVEAGU-UHFFFAOYSA-N  

Network

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Synonyms

  • .Beta.-1-Azacyclooctylethylguanidine
  • 1-(2-azocan-1-ylethyl)guanidine
  • 2-(1'-Azacyclooctyl)ethylguanidine
  • 2-(1-N,N-Heptamethyleneimino)ethylguanidine
  • 2-[2-(1-azocanyl)ethyl]guanidine
  • 2-[2-(azocan-1-yl)ethyl]guanidine
  • 55-65-2
  • 60-02-6 (SULFATE SALT)
  • Abapresin
  • AIDS-155922
  • AIDS155922
  • Azocine, 1-((2-(aminoiminomethyl)amino)ethyl)octahydro-
  • Azocine, 1-(2-guanidinoethyl)octahydro-
  • BPBio1_000346
  • BSPBio_000314
  • BSPBio_002092
  • C07036
  • CAS-60-02-6
  • DivK1c_000539
  • Dopam
  • Dopom
  • EINECS 200-241-3
  • Eutensol
  • Guanethidine
  • Guanethidine Monosulfate
  • Guanethidine Sulphae
  • Guanethidinum [INN-Latin]
  • Guanetidina [INN-Spanish]
  • Guanidine, [2-(hexahydro-1(2H)-azocinyl)ethyl]-
  • Guanidine, N-[2-(hexahydro-1(2H)-azocinyl)ethyl]-
  • Guanidine, (2-(hexahydro-1(2H)-azocinyl)ethyl)-
  • Heptamethylenimine, 1-(2-guanidinoethyl)-
  • HSDB 3092
  • IDI1_000539
  • KBio1_000539
  • KBio2_001317
  • KBio2_003885
  • KBio2_006453
  • KBio3_001312
  • KBioGR_000976
  • KBioSS_001317
  • N-(2-Perhydroazocin-1-ylethyl)guanidine
  • NCGC00016272-01
  • NINDS_000539
  • NSC29863 (SULFATE SALT)
  • Octadin
  • Octadine
  • Octatensine
  • Octatensin
  • Oktadin
  • Oktatensin
  • Oktatenzin
  • Prestwick0_000317
  • Prestwick1_000317
  • Prestwick2_000317
  • Prestwick3_000317
  • Sanotensin
  • SPBio_001206
  • SPBio_002533
  • Spectrum2_001103
  • Spectrum3_000446
  • Spectrum4_000568
  • Spectrum5_000784
  • Spectrum_000837
  • Su 5864 sulfate (1:1)

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0046 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.5569 0.5569
Onchocerca volvulus Neuropeptide F receptor homolog 0.0046 1 1
Echinococcus granulosus G protein coupled receptor 139 0.0046 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.5569 0.53
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Echinococcus multilocularis lamin 0.0033 0.5569 0.5569
Onchocerca volvulus 0.0046 1 1
Schistosoma mansoni adenoreceptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0046 1 1
Echinococcus granulosus allatostatin A receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Echinococcus granulosus g-protein coupled receptor 0.0046 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0046 1 1
Echinococcus multilocularis somatostatin receptor 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Schistosoma mansoni hypothetical protein 0.0046 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0046 1 1
Schistosoma mansoni amine GPCR 0.0046 1 1
Brugia malayi ORL1-like opioid receptor 0.0046 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0046 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0046 1 1
Echinococcus granulosus intermediate filament protein 0.0033 0.5569 0.5569
Brugia malayi G protein-coupled receptor F59B2.13 0.0046 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0046 1 1
Echinococcus multilocularis neuropeptide receptor 0.0046 1 1
Schistosoma mansoni amine GPCR 0.0046 1 1
Schistosoma mansoni neuropeptide receptor 0.0046 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0046 1 1
Echinococcus granulosus neuropeptide receptor 0.0046 1 1
Brugia malayi RE15519p 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Schistosoma mansoni neuropeptide receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0046 1 1
Schistosoma mansoni biogenic amine receptor 0.0046 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0046 1 1
Brugia malayi Dopamine receptor protein 1 0.0046 1 1
Echinococcus granulosus orexin receptor type 2 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0046 1 1
Echinococcus multilocularis g protein coupled receptor 0.0046 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0046 1 1
Echinococcus multilocularis musashi 0.0033 0.5569 0.5569
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus neuropeptide receptor 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0046 1 1
Echinococcus multilocularis allatostatin A receptor 0.0046 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0046 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0046 1 1
Schistosoma mansoni neuropeptide receptor 0.0046 1 1
Echinococcus granulosus lamin dm0 0.0033 0.5569 0.5569
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Brugia malayi GnHR receptor homolog 0.0046 1 1
Brugia malayi Melatonin receptor type 1A 0.0046 1 1
Brugia malayi intermediate filament protein 0.0033 0.5569 0.53
Echinococcus granulosus biogenic amine 5HT receptor 0.0046 1 1
Brugia malayi G-protein coupled receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0046 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0046 1 1
Schistosoma mansoni opsin-like receptor 0.0046 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0046 1 1
Brugia malayi Dopamine receptor 0.0046 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0046 1 1
Echinococcus granulosus g protein coupled receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0046 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0046 1 1
Echinococcus multilocularis fmrfamide receptor 0.0046 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0046 1 1
Schistosoma mansoni hypothetical protein 0.0046 1 1
Brugia malayi G-protein coupled receptor 0.0046 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0046 1 1
Echinococcus multilocularis serotonin receptor 0.0046 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0046 1 1
Echinococcus granulosus g protein coupled receptor 0.0046 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0046 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0046 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.5569 0.5569
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0046 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0046 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0046 1 1
Brugia malayi Serotonin receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0046 1 1
Echinococcus granulosus neuropeptide s receptor 0.0046 1 1
Echinococcus granulosus serotonin receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis orexin receptor type 2 0.0046 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0046 1 1
Brugia malayi Dopamine receptor protein 2 0.0046 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0046 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0046 1 1
Brugia malayi follicle stimulating hormone receptor 0.0046 1 1
Brugia malayi sulfakinin receptor protein 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Echinococcus multilocularis neuropeptide receptor 0.0046 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0046 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0046 1 1
Echinococcus granulosus somatostatin receptor 0.0046 1 1
Echinococcus multilocularis g protein coupled receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0046 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0046 1 1
Schistosoma mansoni biogenic amine receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0046 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0046 1 1
Schistosoma mansoni biogenic amine receptor 0.0046 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0046 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Brugia malayi neuropeptide F receptor 0.0046 1 1
Brugia malayi Serotonin receptor 0.0046 1 1
Brugia malayi G protein-coupled receptor 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0046 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0046 1 1
Echinococcus multilocularis sex peptide receptor 0.0046 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0046 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0572 0.0572
Echinococcus multilocularis rhodopsin orphan GPCR 0.0046 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0046 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0046 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0046 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0046 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0046 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0046 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Schistosoma mansoni amine GPCR 0.0046 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0046 1 1
Schistosoma mansoni amine GPCR 0.0046 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0046 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0046 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0046 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0046 1 1
Schistosoma mansoni opsin-like receptor 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Echinococcus granulosus g protein coupled receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0046 1 1
Echinococcus multilocularis fmrfamide receptor 0.0046 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0046 1 1
Schistosoma mansoni opsin-like receptor 0.0046 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0046 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0046 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0046 1 1
Echinococcus granulosus lamin 0.0033 0.5569 0.5569
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0046 1 1
Echinococcus multilocularis serotonin receptor 0.0046 1 1
Echinococcus granulosus hypothetical protein 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0046 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Schistosoma mansoni hypothetical protein 0.0046 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0046 1 1
Echinococcus multilocularis g protein coupled receptor 0.0046 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0046 1 1
Schistosoma mansoni histamine h1 receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0046 1 1
Brugia malayi AKH receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Schistosoma mansoni myosin xvIII 0.0046 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.5372 0.5372
Loa Loa (eye worm) intermediate filament protein 0.0033 0.5569 0.5569
Brugia malayi putative neuropeptide receptor 0.0046 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Brugia malayi larval opioid receptor 0.0046 1 1
Brugia malayi hypothetical protein 0.0046 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0046 1 1
Schistosoma mansoni neuropeptide receptor 0.0046 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0046 1 1
Onchocerca volvulus 0.0046 1 1
Echinococcus granulosus sex peptide receptor 0.0046 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0046 1 1
Brugia malayi neuropeptide F receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0046 1 1
Schistosoma mansoni amine GPCR 0.0046 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0046 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0046 1 1
Echinococcus granulosus fmrfamide receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0046 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0046 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0046 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0046 1 1
Schistosoma mansoni hypothetical protein 0.0046 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.5569 0.5569
Loa Loa (eye worm) hypothetical protein 0.0046 1 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Activity (binding) Inhibition of mouse brain MAOB ChEMBL. 18834112
Activity (binding) Inhibition of mouse brain MAOA ChEMBL. 18834112
Activity (functional) < 0.1 uM NO releasing ability of compound measured through formation of nitrite using nNOS (nitric oxide synthases) ChEMBL. 11527735
Activity (functional) < 0.1 uM NO releasing ability of compound measured through formation of nitrite using iNOS (nitric oxide synthases) ChEMBL. 11527735
Activity (functional) < 0.1 uM NO releasing ability of compound measured through formation of nitrite using nNOS (nitric oxide synthases) ChEMBL. 11527735
Activity (functional) < 0.1 uM NO releasing ability of compound measured through formation of nitrite using iNOS (nitric oxide synthases) ChEMBL. 11527735
Blood pressure (functional) = -32 mmHg Changes in systolic Blood pressure following iv administration at (25 micromol/Kg) anesthetized rats ChEMBL. 11520203
Blood pressure (functional) = -27 mmHg Tested for the change in systolic blood pressure administered at 25 microg/kg intravenously in anesthetized rats ChEMBL. 8411013
Blood pressure (functional) = -23 mmHg Changes in diastolic Blood pressure following iv administration at (25 micromol/Kg) anesthetized rats ChEMBL. 11520203
Blood pressure (functional) = -19 mmHg Tested for the change in diastolic blood pressure administered at 25 microg/kg intravenously in anesthetized rats ChEMBL. 8411013
BP (functional) = -29 mmHg Change in systolic blood pressure after iv administration of 25 microM/kg in anesthetized rats ChEMBL. 10447956
BP (functional) = -22 mmHg Change in diastolic blood pressure after iv administration of 25 microM/kg in anesthetized rats ChEMBL. 10447956
BP (functional) = -20 mmHg Antihypertensive activity of the compound was evaluated in spontaneously hypertensive rat model with base line sytoslic pressure of 174 mmHg by the indirect tail-cuff method at an oral screening dose of 50 mg/Kg ChEMBL. 6699886
BP (functional) = 138 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po after 4 hours of postdose-2 ChEMBL. 7452694
BP (functional) = 138 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po after 4 hours of postdose-2 ChEMBL. 7452699
BP (functional) = 146 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po after 24 hours of postdose-2 ChEMBL. 7452694
BP (functional) = 154 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po after 4 hours of postdose-1 ChEMBL. 7452694
BP (functional) = 154 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po after 4 hours of postdose-1 ChEMBL. 7452699
BP (functional) = 163 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 25 mg/kg,po after 4 hours of postdose-1 ChEMBL. 7452694
BP (functional) = 163 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 25 mg/kg,po after 4 hours of postdose-2 ChEMBL. 7452694
BP (functional) = 166 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po after 24 hours of postdose-1 ChEMBL. 7452694
BP (functional) = 166 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po after 24 hours of postdose-1 ChEMBL. 7452699
BP (functional) = 181 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 25 mg/kg,po after 24 hours of postdose-1 ChEMBL. 7452694
BP (functional) = 183 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 25 mg/kg,po after 24 hours of postdose-2 ChEMBL. 7452694
BP (functional) = 186 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po after 24 hours of postdose-2 ChEMBL. 7452699
BP (functional) = 187 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po before predose ChEMBL. 7452694
BP (functional) = 187 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 50 mg/kg,po before predose ChEMBL. 7452699
BP (functional) = 194 mmHg Antihypertensive activity in spontaneously hypertensive rats was measured as average blood pressure at 25 mg/kg,po before predose ChEMBL. 7452694
Change (functional) = -26 % Percent change in systolic blood pressure (mmHg)in anesthetized rats by i.v. administration ChEMBL. 10576697
Change (functional) = -24 % Percent change in diastolic blood pressure (mmHg)in anesthetized rats by i.v. administration ChEMBL. 10576697
Change (functional) = -17 % Maximum rate of rise of the left ventricular isovolumetric pressure in anesthetized rats by i.v. administration ChEMBL. 10576697
Change (functional) = -7 % Percent change in heart rate expressed in beats / min in anesthetized rats by i.v. administration ChEMBL. 10576697
Change in systolic pressure (functional) = 34 mmHg Antihypertensive activity was measured for systolic pressure using spontaneous hypertensive rats (SHR) at 10 mg/kg after oral administration ChEMBL. 7392034
Concentration (ADMET) = 2.6 % kg dose g-1 Distribution of the compound in dog adrenal medulla 30 min after administration. ChEMBL. 6694163
Concentration (ADMET) = 5.1 % kg dose g-1 Distribution of the compound in dog adrenal medulla 72 hours after administration. ChEMBL. 6694163
DA release (functional) = 2.7 % The maximal DA release induced by perfusion with 10 mM MPP+ (15 min) 1 day after perfusion with the test compound with basal striatal DA (%of basal x10E-3) ChEMBL. 2374149
DA release (functional) = 3 % The maximum dopamine release induced by perfusion with the test compound with basal striatal DA (%of basal x10E-3) ChEMBL. 2374149
dP/dt (functional) = -1090 mmHg s-1 Maximum rate of rise of the left ventricular isovolumetric pressure was measured after iv administration of 25 microM/kg in anesthetized rats; ratio given for dP/dt ChEMBL. 10447956
dp/dt (functional) = -863 mmHg s-1 Maximum rate of rise of the left ventricular isovolumetric pressure administered at 25 microM/kg iv in anesthetized rats ChEMBL. 8411013
Heart rate (functional) = -24 beats min-1 Change in heart rate after iv administration of 25 microM/kg in anesthetized rats ChEMBL. 10447956
Heart rate (functional) = -18 beats min-1 Tested for change in heart rate administered at 25 microM/kg iv in anesthetized rats ChEMBL. 8411013
IC50 (binding) DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Toxoplasma gondii ChEMBL. 20185316
IC50 (functional) Antimicrobial activity against Trypanosoma brucei ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Entamoeba histolytica ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Trichomonas vaginalis ChEMBL. 20185316
IC50 (functional) Antimicrobial activity against Trypanosoma brucei brucei ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Trypanosoma brucei rhodesiense ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Chemokine CXCR1 (IL-8A) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Leishmania mexicana ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Trypanosoma cruzi ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Leishmania infantum ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Plasmodium falciparum ChEMBL. 20185316
IC50 (functional) Antimicrobial activity against Cryptosporidium parvum ChEMBL. 20185316
IC50 (functional) Antimicrobial activity against Leishmania major ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) ChEMBL. No reference
IC50 (functional) Antimicrobial activity against Leishmania donovani ChEMBL. 20185316
IC50 (binding) DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) ChEMBL. No reference
IC50 (binding) DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) ChEMBL. No reference
Ki (binding) DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Vascular Endothelial Growth Factor (VEGF) radioligand binding (ligand: [125I] VEGF) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Serine/Threonine Kinase, ERK1 enzyme inhibition (substrate: Myelin Basic Protein) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Peptidase, Angiotensin Converting Enzyme enzyme inhibition (substrate: FAPGG) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Melanocortin MC5 radioligand binding (ligand: [125I] NDP-alpha-MSH) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Histamine H1, Central radioligand binding (ligand: [3H] Pyrilamine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Muscarinic M4 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Calcitonin radioligand binding (ligand: [125I] Calcitonin (salmon)) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Melanocortin MC3 radioligand binding (ligand: [125I] NDP-alpha-MSH) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Peptidase, ELA2 (Neutrophil Elastase 2) enzyme inhibition (substrate: N-MeOSuc-Ala-Ala-Pro-Val-pNA) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Acetylcholinesterase enzyme inhibition (substrate: acetylthiocholine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Chemokine CCR4 radioligand binding (ligand: [125I] TARC) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) ChEMBL. No reference
Ki (binding) DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Chemokine CXCR2 (IL-8B) radioligand binding (ligand: [125I] IL-8) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protease, Cathepsin G enzyme inhibition (substrate: Suc-Ala-Ala-Pro-Phe-AMC) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Chemokine CCR5 radioligand binding (ligand: [125I] MIP-1alpha) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Endothelin ETA radioligand binding (ligand: [125I] Endothelin-1) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Nitric Oxide Synthase, Neuronal (nNOS) radioligand binding (ligand: [3H]L-Arginine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Neuropeptide Y Y1 radioligand binding (ligand: [125I] Peptide YY) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Tyrosine Kinase, LCK enzyme inhibition (substrate: Poly(Glu:Tyr)) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Tachykinin NK1 radioligand binding (ligand: [3H] Substance P) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Chemokine CXCR1 (IL-8A) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Glycine, Strychnine-Sensitive radioligand binding (ligand: [3H] Strychnine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Neuropeptide Y Y2 radioligand binding (ligand: [125I] Peptide YY) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Serine/Threonine Kinase PKCalpha enzyme inhibition (substrate: Histone) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Melanocortin MC4 radioligand binding (ligand: [125I] NDP-alpha-MSH) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Tyrosine Kinase, ERBB2 (HER2) enzyme inhibition (substrate: Poly(Glu:Tyr)) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Leukotriene LTC4 Synthase enzyme inhibition (substrate: LTA4) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Platelet Activating Factor (PAF) radioligand binding (ligand: [3H] PAF) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protease, Caspase 1 enzyme inhibition (substrate: Ac-YVAD-AMC) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Tachykinin NK2 radioligand binding (ligand: [3H] SR-48968) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Carbonic Anhydrase II enzyme inhibition (substrate: 4-Nitrophenyl acetate (4-NPA)) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Vasopressin V1A radioligand binding (ligand: [125I] PhenylacetylTyr(Me)PheGlnAsnArgProArgTyr) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Serine/Threonine Kinase, p38alpha enzyme inhibition (substrate: Myelin Basic Protein) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Cholecystokinin CCKA radioligand binding (ligand: [3H] L-364,718) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Histamine H2 radioligand binding (ligand: [125I] Aminopotentidine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Adrenergic beta3 radioligand binding (ligand: [125I] Cyanopindolol) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Bradykinin B2 radioligand binding (ligand: [3H] Bradykinin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protease, Matrix Metalloprotease-9 (MMP-9) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Serine/Threonine Phosphatase, PPP3CA (Calcineurin, PP2B) enzyme inhibition (substrate: DiFMUP) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-Arginine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Peptidase, Matrix Metalloprotease-1 (MMP-1) enzyme inhibition (substrate: Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Angiotensin AT2 radioligand binding (ligand: [125I] CGP-42112A) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Chemokine CCR2B radioligand binding (ligand: [125I] MCP-1) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) ChEMBL. No reference
Ki (binding) DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Vasoactive Intestinal Peptide VIP1 radioligand binding (ligand: [125I] VIP) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Cysteinyl leukotriene receptor 1 radioligand binding (ligand: [3H]LTD4) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Adrenergic beta2 radioligand binding (ligand: [3H] CGP-12177) ChEMBL. No reference
Ki (binding) DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Serine/Threonine Kinase, ERK2 enzyme inhibition (substrate: Myelin Basic Protein) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Cannabinoid CB1 radioligand binding (ligand: [3H] SR141716A) ChEMBL. No reference
Ki (binding) DRUGMATRIX: CYP450, 2A6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Adenosine A3 radioligand binding (ligand: AB-MECA) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Tyrosine Kinase, EGF Receptor enzyme inhibition (substrate: Poly(Glu:Tyr)) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Protein Tyrosine Kinase, Fyn enzyme inhibition (substrate: Poly(Glu:Tyr)) ChEMBL. No reference
Ki (binding) DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) ChEMBL. No reference
Ki (binding) DRUGMATRIX: Insulin radioligand binding (ligand: [125I] Insulin) ChEMBL. No reference
MABP change (functional) = -16 mmHg Blood pressure change in rats after oral administration of 50 mg/kg dose after 4 hours ChEMBL. 3735318
MABP change (functional) = 9 mmHg Blood pressure change in rats after oral administration of 50 mg/kg dose after 24 hours ChEMBL. 3735318
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.7255 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] ChEMBL. No reference
Ratio (ADMET) = 70 Ratio of the concentration levels determined for the adrenal medulla to the liver after 72 hr; [Adrenal Medulla]/[liver] ChEMBL. 6694163

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

17 literature references were collected for this gene.

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