Detailed information for compound 1052439

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 401.461 | Formula: C23H23N5O2
  • H donors: 1 H acceptors: 4 LogP: 2.81 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C(c1cccnc1)N1CCC(CC1)NC(=O)c1onc(c1)C
  • InChi: 1S/C23H23N5O2/c1-16-13-21(30-27-16)23(29)26-20-8-11-28(12-9-20)22(19-3-2-10-25-15-19)18-6-4-17(14-24)5-7-18/h2-7,10,13,15,20,22H,8-9,11-12H2,1H3,(H,26,29)
  • InChiKey: MXISCTLEHVAHLR-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis neuropeptide s receptor 0.0134 0.4898 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0134 0.4898 1
Schistosoma mansoni amine GPCR 0.0134 0.4898 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0134 0.4898 1
Schistosoma mansoni amine GPCR 0.0134 0.4898 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0134 0.4898 1
Schistosoma mansoni amine GPCR 0.0134 0.4898 1
Echinococcus multilocularis neuropeptide receptor A26 0.0134 0.4898 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0134 0.4898 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0134 0.4898 1
Echinococcus granulosus tm gpcr rhodopsin 0.0134 0.4898 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Echinococcus multilocularis serotonin receptor 0.0134 0.4898 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0134 0.4898 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus granulosus neuropeptide Y receptor 0.0134 0.4898 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0212 0.9793 1
Schistosoma mansoni histamine h1 receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus multilocularis neuropeptide receptor 0.0134 0.4898 1
Echinococcus granulosus neuropeptide Y receptor 0.0134 0.4898 1
Schistosoma mansoni opsin-like receptor 0.0134 0.4898 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Brugia malayi G protein-coupled receptor 0.0134 0.4898 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0134 0.4898 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0134 0.4898 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0134 0.4898 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0134 0.4898 1
Echinococcus granulosus serotonin receptor 0.0134 0.4898 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0134 0.4898 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0134 0.4898 0.4188
Echinococcus granulosus neuropeptides capa receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi follicle stimulating hormone receptor 0.0134 0.4898 1
Brugia malayi AKH receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Schistosoma mansoni opsin-like receptor 0.0134 0.4898 1
Echinococcus granulosus fmrfamide receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Schistosoma mansoni amine GPCR 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Brugia malayi hypothetical protein 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus multilocularis neuropeptide Y receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi larval opioid receptor 0.0134 0.4898 1
Echinococcus granulosus allatostatin A receptor 0.0134 0.4898 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0134 0.4898 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Echinococcus multilocularis g protein coupled receptor 0.0134 0.4898 1
Brugia malayi hypothetical protein 0.0134 0.4898 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0134 0.4898 1
Onchocerca volvulus 0.0078 0.1371 0.0235
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi G protein-coupled receptor F59B2.13 0.0134 0.4898 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0134 0.4898 1
Echinococcus multilocularis neuropeptides capa receptor 0.0134 0.4898 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0134 0.4898 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi hypothetical protein 0.0134 0.4898 1
Brugia malayi Dopamine receptor 0.0134 0.4898 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0134 0.4898 1
Echinococcus granulosus neuropeptides capa receptor 0.0134 0.4898 1
Brugia malayi hypothetical protein 0.0134 0.4898 1
Echinococcus multilocularis allatostatin A receptor 0.0134 0.4898 1
Brugia malayi RE15519p 0.0134 0.4898 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0134 0.4898 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0134 0.4898 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Schistosoma mansoni biogenic amine (5HT) receptor 0.0134 0.4898 1
Schistosoma mansoni myosin xvIII 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Schistosoma mansoni neuropeptide receptor 0.0134 0.4898 1
Brugia malayi hypothetical protein 0.0134 0.4898 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0134 0.4898 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0134 0.4898 0.4188
Brugia malayi hypothetical protein 0.0134 0.4898 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0134 0.4898 1
Brugia malayi hypothetical protein 0.0134 0.4898 1
Echinococcus multilocularis g protein coupled receptor 0.0134 0.4898 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus granulosus rhodopsin orphan GPCR 0.0134 0.4898 1
Schistosoma mansoni neuropeptide F-like receptor 0.0134 0.4898 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0134 0.4898 1
Echinococcus granulosus neuropeptide receptor 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0134 0.4898 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0134 0.4898 1
Schistosoma mansoni neuropeptide receptor 0.0134 0.4898 1
Echinococcus multilocularis neuropeptide receptor 0.0134 0.4898 1
Brugia malayi hypothetical protein 0.0134 0.4898 1
Brugia malayi Serotonin receptor 0.0134 0.4898 1
Echinococcus multilocularis orexin receptor type 2 0.0134 0.4898 1
Brugia malayi sulfakinin receptor protein 0.0134 0.4898 1
Schistosoma mansoni hypothetical protein 0.0134 0.4898 1
Echinococcus multilocularis sex peptide receptor 0.0134 0.4898 1
Echinococcus multilocularis fmrfamide receptor 0.0134 0.4898 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0134 0.4898 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0134 0.4898 1
Brugia malayi Melatonin receptor type 1A 0.0134 0.4898 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0134 0.4898 1
Echinococcus granulosus g protein coupled receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus multilocularis serotonin receptor 0.0134 0.4898 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0134 0.4898 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0134 0.4898 0.4188
Echinococcus multilocularis neuropeptide Y receptor 0.0134 0.4898 1
Brugia malayi ORL1-like opioid receptor 0.0134 0.4898 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Onchocerca volvulus Adenylate cyclase type 2 homolog 0.0078 0.1371 0.0235
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0134 0.4898 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0134 0.4898 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0134 0.4898 1
Brugia malayi neuropeptide F receptor 0.0134 0.4898 1
Echinococcus multilocularis neuropeptides capa receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi G-protein coupled receptor 0.0134 0.4898 1
Echinococcus granulosus neuropeptide s receptor 0.0134 0.4898 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0134 0.4898 0.4188
Echinococcus granulosus tm gpcr rhodopsin 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi putative neuropeptide receptor NPR1 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Onchocerca volvulus 0.0134 0.4898 0.4226
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0134 0.4898 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0134 0.4898 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0134 0.4898 1
Loa Loa (eye worm) neuropeptide F receptor 0.0134 0.4898 0.4188
Schistosoma mansoni biogenic amine receptor 0.0134 0.4898 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0134 0.4898 0.4226
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus granulosus neuropeptide receptor A26 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus multilocularis G protein coupled receptor 139 0.0134 0.4898 1
Schistosoma mansoni amine GPCR 0.0134 0.4898 1
Schistosoma mansoni adenoreceptor 0.0134 0.4898 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus granulosus somatostatin receptor 0.0134 0.4898 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0134 0.4898 1
Brugia malayi G-protein coupled receptor 0.0134 0.4898 1
Echinococcus multilocularis g protein coupled receptor 0.0134 0.4898 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0134 0.4898 1
Echinococcus granulosus tm gpcr rhodopsin 0.0134 0.4898 1
Echinococcus multilocularis adenylate cyclase 9 0.0078 0.1371 0.2798
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Echinococcus granulosus sex peptide receptor 0.0134 0.4898 1
Schistosoma mansoni neuropeptide receptor 0.0134 0.4898 1
Brugia malayi neuropeptide F receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus multilocularis g-protein coupled receptor 0.0134 0.4898 1
Echinococcus granulosus adenylate cyclase 9 0.0078 0.1371 0.2798
Onchocerca volvulus 0.0134 0.4898 0.4226
Schistosoma mansoni hypothetical protein 0.0134 0.4898 1
Echinococcus granulosus G protein coupled receptor 139 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0134 0.4898 1
Schistosoma mansoni hypothetical protein 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus granulosus alpha 1A adrenergic receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi putative neuropeptide receptor 0.0134 0.4898 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0134 0.4898 1
Echinococcus granulosus g-protein coupled receptor 0.0134 0.4898 1
Echinococcus multilocularis somatostatin receptor 0.0134 0.4898 1
Loa Loa (eye worm) neuropeptide F receptor 0.0134 0.4898 0.4188
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Echinococcus granulosus neuropeptide receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus multilocularis fmrfamide receptor 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Onchocerca volvulus 0.0134 0.4898 0.4226
Echinococcus multilocularis rhodopsin orphan GPCR 0.0134 0.4898 1
Echinococcus granulosus orexin receptor type 2 0.0134 0.4898 1
Schistosoma mansoni hypothetical protein 0.0134 0.4898 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0134 0.4898 1
Schistosoma mansoni biogenic amine receptor 0.0134 0.4898 1
Brugia malayi GnHR receptor homolog 0.0134 0.4898 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0134 0.4898 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0134 0.4898 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0134 0.4898 1
Loa Loa (eye worm) G-protein coupled receptor 0.0134 0.4898 0.4188
Onchocerca volvulus 0.0134 0.4898 0.4226
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Echinococcus granulosus g protein coupled receptor 0.0134 0.4898 1
Brugia malayi hypothetical protein 0.0134 0.4898 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0134 0.4898 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0134 0.4898 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0134 0.4898 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0134 0.4898 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0134 0.4898 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0134 0.4898 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi Dopamine receptor protein 1 0.0134 0.4898 1
Echinococcus granulosus dro:myosuppressin receptor 0.0134 0.4898 1
Echinococcus granulosus g protein coupled receptor 0.0134 0.4898 1
Echinococcus granulosus hypothetical protein 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Loa Loa (eye worm) TYRA-2 protein 0.0134 0.4898 0.4188
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Schistosoma mansoni biogenic amine receptor 0.0134 0.4898 1
Onchocerca volvulus 0.0134 0.4898 0.4226
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0134 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.4898 0.4188
Brugia malayi Dopamine receptor protein 2 0.0134 0.4898 1
Brugia malayi Serotonin receptor 0.0134 0.4898 1
Schistosoma mansoni opsin-like receptor 0.0134 0.4898 1
Schistosoma mansoni neuropeptide receptor 0.0134 0.4898 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0134 0.4898 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0134 0.4898 0.4188
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0134 0.4898 0.4226
Brugia malayi hypothetical protein 0.0134 0.4898 1
Schistosoma mansoni neuropeptide F-like receptor 0.0134 0.4898 1
Loa Loa (eye worm) G-protein coupled receptor 0.0134 0.4898 0.4188
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0134 0.4898 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.1965 uM DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro. ChEMBL. No reference
IC90 (functional) = 0.6885 uM DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi 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

No literature references available for this target.

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