Detailed information for compound 407530

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1534.77 | Formula: C74H103N25O12
  • H donors: 18 H acceptors: 17 LogP: -0.34 Rotable bonds: 56
    Rule of 5 violations (Lipinski): 4
  • SMILES: N#CN/C(=N\CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)CCC/N=C(/NCc1ccccn1)\NC#N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)Cc1nc[nH]c1)CO)/NCc1ccccn1
  • InChi: 1S/C74H103N25O12/c1-44(2)33-57(67(106)94-56(21-10-13-27-79-45(3)4)72(111)99-32-16-24-61(99)71(110)90-46(5)63(77)102)95-65(104)54(23-15-31-83-74(88-42-76)86-39-49-18-9-12-29-81-49)92-64(103)53(22-14-30-82-73(87-41-75)85-38-48-17-8-11-28-80-48)93-70(109)60(40-100)98-68(107)58(34-47-36-84-52-20-7-6-19-51(47)52)96-69(108)59(35-50-37-78-43-89-50)97-66(105)55-25-26-62(101)91-55/h6-9,11-12,17-20,28-29,36-37,43-46,53-61,79,84,100H,10,13-16,21-27,30-35,38-40H2,1-5H3,(H2,77,102)(H,78,89)(H,90,110)(H,91,101)(H,92,103)(H,93,109)(H,94,106)(H,95,104)(H,96,108)(H,97,105)(H,98,107)(H2,82,85,87)(H2,83,86,88)/t46-,53+,54-,55+,56+,57+,58+,59+,60+,61+/m1/s1
  • InChiKey: CQCBNIFHUVHVQS-OCWVAJRQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Gonadotropin-releasing hormone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GnHR receptor homolog Get druggable targets OG5_131719 All targets in OG5_131719
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Gonadotropin-releasing hormone receptor   327 aa 343 aa 21.6 %
Echinococcus multilocularis neuropeptide receptor Gonadotropin-releasing hormone receptor   327 aa 263 aa 20.9 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 336 aa 20.8 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Gonadotropin-releasing hormone receptor   327 aa 263 aa 23.2 %
Schistosoma mansoni peptide (allatostatin)-like receptor Gonadotropin-releasing hormone receptor   327 aa 272 aa 23.2 %
Loa Loa (eye worm) hypothetical protein Gonadotropin-releasing hormone receptor   327 aa 334 aa 21.6 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Gonadotropin-releasing hormone receptor   327 aa 273 aa 19.8 %
Echinococcus granulosus allatostatin A receptor Gonadotropin-releasing hormone receptor   327 aa 284 aa 22.9 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Gonadotropin-releasing hormone receptor   327 aa 290 aa 19.7 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Gonadotropin-releasing hormone receptor   327 aa 305 aa 24.9 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 284 aa 19.4 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Gonadotropin-releasing hormone receptor   327 aa 288 aa 24.3 %
Echinococcus multilocularis tachykinin peptides receptor 99D Gonadotropin-releasing hormone receptor   327 aa 283 aa 20.1 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 292 aa 19.5 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Gonadotropin-releasing hormone receptor   327 aa 288 aa 27.8 %
Echinococcus granulosus tm gpcr rhodopsin Gonadotropin-releasing hormone receptor   327 aa 299 aa 23.1 %
Schistosoma mansoni neuropeptide receptor Gonadotropin-releasing hormone receptor   327 aa 263 aa 24.0 %
Brugia malayi ORL1-like opioid receptor Gonadotropin-releasing hormone receptor   327 aa 293 aa 20.8 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 271 aa 20.7 %
Echinococcus granulosus tachykinin peptides receptor 99D Gonadotropin-releasing hormone receptor   327 aa 283 aa 19.1 %
Echinococcus multilocularis allatostatin A receptor Gonadotropin-releasing hormone receptor   327 aa 279 aa 23.7 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 336 aa 19.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0126 0.025 1
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0126 0.025 0.025
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0126 0.025 0.061
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Schistosoma mansoni hypothetical protein 0.0126 0.025 0.061
Schistosoma mansoni amine GPCR 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Schistosoma mansoni alpha-1 adrenergic receptor 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Schistosoma mansoni neuropeptide F-like receptor 0.0126 0.025 0.061
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0126 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus tachykinin peptides receptor 99D 0.0126 0.025 0.025
Schistosoma mansoni hypothetical protein 0.0126 0.025 0.061
Schistosoma mansoni neuropeptide receptor 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus dro:myosuppressin receptor 0.0126 0.025 0.025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Schistosoma mansoni biogenic amine receptor 0.0126 0.025 0.061
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0126 0.025 0.025
Brugia malayi GnHR receptor homolog 0.0682 0.3397 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0126 0.025 0.025
Schistosoma mansoni adenoreceptor 0.0126 0.025 0.061
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0126 0.025 0.061
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0126 0.025 0.0736
Echinococcus multilocularis serotonin receptor 0.0126 0.025 0.025
Schistosoma mansoni amine GPCR 0.0126 0.025 0.061
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0126 0.025 0.025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0126 0.025 0.025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0126 0.025 0.0736
Schistosoma mansoni opsin-like receptor 0.0126 0.025 0.061
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0126 0.025 0.061
Brugia malayi G protein-coupled receptor 0.0126 0.025 0.0736
Schistosoma mansoni biogenic amine (5HT) receptor 0.0126 0.025 0.061
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0126 0.025 0.025
Brugia malayi AKH receptor 0.0126 0.025 0.0736
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Schistosoma mansoni hypothetical protein 0.0126 0.025 0.061
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0126 0.025 0.0736
Echinococcus granulosus orexin receptor type 2 0.0126 0.025 0.025
Echinococcus granulosus biogenic amine 5HT receptor 0.0126 0.025 0.025
Onchocerca volvulus Neuropeptide F receptor homolog 0.0126 0.025 1
Brugia malayi larval opioid receptor 0.0126 0.025 0.0736
Echinococcus multilocularis rhodopsin orphan GPCR 0.0126 0.025 0.025
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0126 0.025 0.1523
Echinococcus multilocularis rhodopsin orphan GPCR 0.0126 0.025 0.025
Echinococcus granulosus sex peptide receptor 0.0126 0.025 0.025
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0126 0.025 0.061
Echinococcus multilocularis g-protein coupled receptor 0.0126 0.025 0.025
Schistosoma mansoni amine GPCR 0.0126 0.025 0.061
Brugia malayi neuropeptide F receptor 0.0126 0.025 0.0736
Echinococcus multilocularis fmrfamide receptor 0.0126 0.025 0.025
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0126 0.025 0.061
Echinococcus granulosus rhodopsin orphan GPCR 0.0126 0.025 0.025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0126 0.025 0.025
Echinococcus multilocularis neuropeptide receptor A26 0.0126 0.025 0.025
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0082 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus neuropeptide Y receptor 0.0126 0.025 0.025
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0126 0.025 0.025
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0116 0.019 0.5
Echinococcus multilocularis sex peptide receptor 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus multilocularis G-protein coupled receptor, putative 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus multilocularis neuropeptide receptor 0.0126 0.025 0.025
Onchocerca volvulus 0.0126 0.025 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0126 0.025 0.025
Echinococcus granulosus somatostatin receptor 0.0126 0.025 0.025
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Echinococcus granulosus 7TM GPCR rhodopsin 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0116 0.019 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0126 0.025 0.061
Echinococcus granulosus neuropeptide FF receptor 2 0.0126 0.025 0.025
Schistosoma mansoni opsin-like receptor 0.0126 0.025 0.061
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Onchocerca volvulus 0.0126 0.025 1
Echinococcus granulosus g protein coupled receptor 0.0126 0.025 0.025
Schistosoma mansoni growth hormone secretagogue receptor 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Schistosoma mansoni hypothetical protein 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Brugia malayi putative neuropeptide receptor NPR1 0.0126 0.025 0.0736
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0116 0.019 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Schistosoma mansoni amine GPCR 0.0126 0.025 0.061
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0082 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Brugia malayi Serotonin receptor 0.0126 0.025 0.0736
Echinococcus granulosus hypothetical protein 0.0126 0.025 0.025
Echinococcus multilocularis orexin receptor type 2 0.0126 0.025 0.025
Schistosoma mansoni neuropeptide receptor 0.0126 0.025 0.061
Echinococcus granulosus fmrfamide receptor 0.0126 0.025 0.025
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0126 0.025 0.061
Brugia malayi G-protein coupled receptor 0.0126 0.025 0.0736
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0126 0.025 0.025
Loa Loa (eye worm) G-protein coupled receptor 0.0126 0.025 0.1523
Schistosoma mansoni biogenic amine receptor 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Onchocerca volvulus 0.0126 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0126 0.025 0.1523
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0126 0.025 0.025
Echinococcus multilocularis somatostatin receptor 0.0126 0.025 0.025
Echinococcus granulosus serotonin receptor 0.0126 0.025 0.025
Echinococcus granulosus tm gpcr rhodopsin 0.0126 0.025 0.025
Brugia malayi putative neuropeptide receptor 0.0126 0.025 0.0736
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) TYRA-2 protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus multilocularis allatostatin A receptor 0.0126 0.025 0.025
Brugia malayi Melatonin receptor type 1A 0.0126 0.025 0.0736
Echinococcus multilocularis neuropeptide s receptor 0.0126 0.025 0.025
Brugia malayi Cache domain containing protein 0.0372 0.1642 0.4832
Echinococcus multilocularis rhodopsin orphan GPCR 0.0126 0.025 0.025
Schistosoma mansoni hypothetical protein 0.0434 0.1993 0.486
Echinococcus granulosus neuropeptide receptor 0.0126 0.025 0.025
Echinococcus granulosus neuropeptides capa receptor 0.0126 0.025 0.025
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0806 0.41 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0126 0.025 0.025
Onchocerca volvulus 0.0126 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus multilocularis g protein coupled receptor 0.0126 0.025 0.025
Brugia malayi Serotonin receptor 0.0126 0.025 0.0736
Onchocerca volvulus 0.0126 0.025 1
Onchocerca volvulus 0.0126 0.025 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus g protein coupled receptor 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus rhodopsin orphan GPCR 0.0126 0.025 0.025
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0116 0.019 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus rhodopsin orphan GPCR 0.0126 0.025 0.025
Echinococcus granulosus voltage dependent calcium channel subunit 0.084 0.4294 0.4294
Onchocerca volvulus 0.0126 0.025 1
Echinococcus granulosus tm gpcr rhodopsin 0.0126 0.025 0.025
Onchocerca volvulus 0.0126 0.025 1
Echinococcus granulosus g protein coupled receptor 0.0126 0.025 0.025
Echinococcus granulosus rhodopsin orphan GPCR 0.0126 0.025 0.025
Onchocerca volvulus 0.0126 0.025 1
Echinococcus multilocularis g protein coupled receptor 0.0126 0.025 0.025
Echinococcus multilocularis dro:myosuppressin receptor 0.0126 0.025 0.025
Schistosoma mansoni myosin xvIII 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Brugia malayi Dopamine receptor 0.0126 0.025 0.0736
Echinococcus granulosus neuropeptide receptor A26 0.0126 0.025 0.025
Loa Loa (eye worm) melatonin receptor type 1A 0.0126 0.025 0.1523
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0126 0.025 0.025
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Onchocerca volvulus 0.0126 0.025 1
Echinococcus granulosus neuropeptides capa receptor 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) neuropeptide F receptor 0.0126 0.025 0.1523
Echinococcus granulosus biogenic amine 5HT receptor 0.0126 0.025 0.025
Onchocerca volvulus 0.0126 0.025 1
Schistosoma mansoni serine-rich repeat protein 0.0434 0.1993 0.486
Brugia malayi RE15519p 0.0126 0.025 0.0736
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0126 0.025 0.0736
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0126 0.025 0.025
Loa Loa (eye worm) neuropeptide F receptor 0.0126 0.025 0.1523
Echinococcus granulosus neuropeptide Y receptor 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus g-protein coupled receptor 0.0126 0.025 0.025
Echinococcus granulosus G protein coupled receptor 139 0.0126 0.025 0.025
Echinococcus multilocularis voltage dependent calcium channel subunit 0.084 0.4294 0.4294
Onchocerca volvulus 0.0126 0.025 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0126 0.025 0.0736
Brugia malayi Dopamine receptor protein 1 0.0126 0.025 0.0736
Brugia malayi ORL1-like opioid receptor 0.0126 0.025 0.0736
Echinococcus multilocularis neuropeptide receptor 0.0126 0.025 0.025
Brugia malayi follicle stimulating hormone receptor 0.0126 0.025 0.0736
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0126 0.025 0.025
Echinococcus granulosus rhodopsin orphan GPCR 0.0126 0.025 0.025
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0126 0.025 0.1523
Brugia malayi G-protein coupled receptor 0.0126 0.025 0.0736
Echinococcus multilocularis neuropeptide Y receptor 0.0126 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0126 0.025 0.025
Brugia malayi sulfakinin receptor protein 0.0126 0.025 0.0736
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Onchocerca volvulus 0.0126 0.025 1
Onchocerca volvulus 0.0126 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0372 0.1642 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0126 0.025 0.025
Echinococcus multilocularis neuropeptide Y receptor 0.0126 0.025 0.025
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0126 0.025 0.061
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0126 0.025 0.025
Schistosoma mansoni amine GPCR 0.0126 0.025 0.061
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0126 0.025 0.025
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Onchocerca volvulus 0.0126 0.025 1
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Brugia malayi G protein-coupled receptor F59B2.13 0.0126 0.025 0.0736
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0126 0.025 0.061
Echinococcus granulosus rhodopsin orphan GPCR 0.0126 0.025 0.025
Schistosoma mansoni neuropeptide f receptor 76f 0.0126 0.025 0.061
Schistosoma mansoni neuropeptide receptor 0.0126 0.025 0.061
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0126 0.025 0.025
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Echinococcus granulosus 7tm_1 domain containing protein 0.0126 0.025 0.025
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0406 0.1836 0.4478
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus tm gpcr rhodopsin 0.0126 0.025 0.025
Echinococcus multilocularis neuropeptides capa receptor 0.0126 0.025 0.025
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0116 0.019 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0116 0.019 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0126 0.025 0.1523
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0126 0.025 0.025
Echinococcus multilocularis rhodopsin orphan GPCR 0.0126 0.025 0.025
Echinococcus granulosus neuropeptide s receptor 0.0126 0.025 0.025
Mycobacterium ulcerans thymidylate synthase 0.0082 0 0.5
Schistosoma mansoni opsin-like receptor 0.0126 0.025 0.061
Brugia malayi neuropeptide F receptor 0.0126 0.025 0.0736
Brugia malayi Dopamine receptor protein 2 0.0126 0.025 0.0736
Echinococcus multilocularis serotonin receptor 0.0126 0.025 0.025
Echinococcus multilocularis fmrfamide receptor 0.0126 0.025 0.025
Schistosoma mansoni neuropeptide receptor 0.0126 0.025 0.061
Onchocerca volvulus 0.0126 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus multilocularis rhodopsin orphan GPCR 0.0126 0.025 0.025
Schistosoma mansoni histamine h1 receptor 0.0126 0.025 0.061
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0126 0.025 0.061
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0126 0.025 0.061
Echinococcus multilocularis g protein coupled receptor 0.0126 0.025 0.025
Echinococcus granulosus allatostatin A receptor 0.0126 0.025 0.025
Schistosoma mansoni biogenic amine (5HT) receptor 0.0126 0.025 0.061
Schistosoma mansoni neuropeptide F-like receptor 0.0126 0.025 0.061
Loa Loa (eye worm) hypothetical protein 0.0126 0.025 0.1523
Echinococcus granulosus peptide allatostatin:somatostatin 0.0126 0.025 0.025
Schistosoma mansoni biogenic amine receptor 0.0126 0.025 0.061
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1847 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0126 0.025 0.025
Brugia malayi hypothetical protein 0.0126 0.025 0.0736
Brugia malayi Tachykinin-like peptides receptor 99D 0.0126 0.025 0.0736
Echinococcus multilocularis neuropeptides capa receptor 0.0126 0.025 0.025
Echinococcus multilocularis G protein coupled receptor 139 0.0126 0.025 0.025
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0126 0.025 0.1523
Echinococcus granulosus neuropeptide receptor 0.0126 0.025 0.025

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Potency of the compound (2.5 mg/rat) using anti-ovulatory assay, expressed as rat ovulating/total number of treated rats measured after sc administration; 2/9 ChEMBL. 1714956
Kd (binding) = 0.41 nM In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes ChEMBL. 1714956
Kd (binding) = 0.41 nM In vitro binding affinity of Gonadotropin-releasing hormone antagonist was measured in rat pituitary cell membranes ChEMBL. 1714956
Relative potency (functional) = 0.9 Antagonist potency at GnRH receptor relative to a standard ([Ac-delta3Pro, DFpa2, DTrp3,6]GnRH). ChEMBL. 1714956
Relative potency (functional) = 0.9 Antagonist potency at GnRH receptor relative to a standard ([Ac-delta3Pro, DFpa2, DTrp3,6]GnRH). ChEMBL. 1714956

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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