Detailed information for compound 225167

Basic information

Technical information
  • TDR Targets ID: 225167
  • Name: 8-(4,5-diphenylpyrazol-1-yl)octanoic acid
  • MW: 362.465 | Formula: C23H26N2O2
  • H donors: 1 H acceptors: 3 LogP: 5.11 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCCCCn1ncc(c1c1ccccc1)c1ccccc1
  • InChi: 1S/C23H26N2O2/c26-22(27)16-10-2-1-3-11-17-25-23(20-14-8-5-9-15-20)21(18-24-25)19-12-6-4-7-13-19/h4-9,12-15,18H,1-3,10-11,16-17H2,(H,26,27)
  • InChiKey: OLJBDKPTRLUCRA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-(4,5-diphenyl-1-pyrazolyl)octanoic acid
  • 8-(4,5-diphenylpyrazol-1-yl)caprylic acid
  • 8-[4,5-di(phenyl)pyrazol-1-yl]octanoic acid
  • 8-[4,5-di(phenyl)-1-pyrazolyl]octanoic acid
  • 8-[4,5-di(phenyl)pyrazol-1-yl]caprylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin I2 (prostacyclin) receptor (IP) Starlite/ChEMBL References

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
Brugia malayi G-protein coupled receptor 0.008 0.1023 0.7258
Plasmodium vivax beta-hydroxyacyl-ACP dehydratase precursor, putative 0.0258 0.4083 0.5327
Echinococcus multilocularis g protein coupled receptor 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Brugia malayi DNA topoisomerase I 0.0102 0.141 1
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.056 0.0248
Echinococcus multilocularis neuropeptides capa receptor 0.008 0.1023 0.7258
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.056 0.0248
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.056 0.0248
Loa Loa (eye worm) melatonin receptor type 1A 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Plasmodium falciparum topoisomerase I 0.0102 0.141 0.1285
Schistosoma mansoni hypothetical protein 0.008 0.1023 0.7258
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0053 0.056 0.0248
Brugia malayi Tachykinin-like peptides receptor 99D 0.008 0.1023 0.7258
Schistosoma mansoni peptide (allatostatin)-like receptor 0.008 0.1023 0.7258
Schistosoma mansoni biogenic amine (5HT) receptor 0.008 0.1023 0.7258
Echinococcus multilocularis neuropeptides capa receptor 0.008 0.1023 0.7258
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Brugia malayi Serotonin/octopamine receptor family protein 7 0.008 0.1023 0.7258
Echinococcus multilocularis G-protein coupled receptor, putative 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus thyrotropin releasing hormone receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Mycobacterium leprae 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI 0.0053 0.056 0.0248
Plasmodium vivax topoisomerase I, putative 0.0102 0.141 0.1285
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.008 0.1023 0.7258
Echinococcus multilocularis neuropeptide receptor 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Trypanosoma brucei DNA topoisomerase type IB small subunit 0.0602 1 1
Schistosoma mansoni biogenic amine receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0053 0.056 0.0175
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis g-protein coupled receptor 0.008 0.1023 0.7258
Brugia malayi gonadotropin-releasing hormone receptor 2 0.008 0.1023 0.7258
Echinococcus multilocularis dro:myosuppressin receptor 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Echinococcus multilocularis serotonin receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.008 0.1023 0.7258
Echinococcus granulosus somatostatin receptor 0.008 0.1023 0.7258
Echinococcus granulosus biogenic amine 5HT receptor 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Brugia malayi G-protein coupled receptor 0.008 0.1023 0.7258
Echinococcus multilocularis g protein coupled receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.1023 0.7258
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0438 0.7174 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.008 0.1023 0.7258
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0053 0.056 0.0175
Brugia malayi G protein-coupled receptor F59B2.13 0.008 0.1023 0.7258
Mycobacterium ulcerans oxidoreductase 0.0053 0.056 0.0248
Schistosoma mansoni myosin xvIII 0.008 0.1023 0.7258
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0043 0.0392 0.278
Echinococcus granulosus allatostatin A receptor 0.008 0.1023 0.7258
Echinococcus granulosus serotonin receptor 0.008 0.1023 0.7258
Echinococcus granulosus hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptide s receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis sex peptide receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0438 0.7174 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptide FF receptor 2 0.008 0.1023 0.7258
Schistosoma mansoni biogenic amine (5HT) receptor 0.008 0.1023 0.7258
Plasmodium falciparum beta-hydroxyacyl-ACP dehydratase 0.0258 0.4083 0.5327
Brugia malayi Serotonin receptor 0.008 0.1023 0.7258
Schistosoma mansoni opsin-like receptor 0.008 0.1023 0.7258
Schistosoma mansoni neuropeptide receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.008 0.1023 0.7258
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.008 0.1023 0.7258
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0053 0.056 0.0248
Onchocerca volvulus 0.008 0.1023 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0053 0.056 0.3973
Brugia malayi sulfakinin receptor protein 0.008 0.1023 0.7258
Schistosoma mansoni DNA topoisomerase type I 0.0102 0.141 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0438 0.7174 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni biogenic amine (dopamine) receptor 0.008 0.1023 0.7258
Chlamydia trachomatis 3-hydroxyacyl-ACP dehydratase 0.0258 0.4083 0.5327
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.1023 0.7258
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.008 0.1023 0.7258
Schistosoma mansoni amine GPCR 0.008 0.1023 0.7258
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.008 0.1023 0.7258
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.008 0.1023 0.7258
Brugia malayi Serotonin receptor 0.008 0.1023 0.7258
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Brugia malayi follicle stimulating hormone receptor 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni opsin-like receptor 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.008 0.1023 0.7258
Brugia malayi larval opioid receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptides capa receptor 0.008 0.1023 0.7258
Echinococcus granulosus fmrfamide receptor 0.008 0.1023 0.7258
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.056 0.0248
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Onchocerca volvulus 0.008 0.1023 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus g-protein coupled receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) follicle stimulating hormone receptor 0.008 0.1023 0.7258
Schistosoma mansoni biogenic amine (dopamine) receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.0043 0.0392 0.278
Echinococcus multilocularis somatostatin receptor 0.008 0.1023 0.7258
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni biogenic amine receptor 0.008 0.1023 0.7258
Echinococcus granulosus sex peptide receptor 0.008 0.1023 0.7258
Echinococcus granulosus tm gpcr rhodopsin 0.008 0.1023 0.7258
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.008 0.1023 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni histamine h1 receptor 0.008 0.1023 0.7258
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.1023 0.7258
Brugia malayi Dopamine receptor protein 1 0.008 0.1023 0.7258
Loa Loa (eye worm) neuropeptide F receptor 0.008 0.1023 0.7258
Echinococcus granulosus peptide allatostatin:somatostatin 0.008 0.1023 0.7258
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.1023 0.7258
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0053 0.056 0.3973
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.1023 0.7258
Schistosoma mansoni amine GPCR 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Onchocerca volvulus 0.0043 0.0392 0.383
Onchocerca volvulus Neuropeptide F receptor homolog 0.008 0.1023 1
Loa Loa (eye worm) oxidoreductase 0.0053 0.056 0.3973
Schistosoma mansoni neuropeptide receptor 0.008 0.1023 0.7258
Echinococcus granulosus tachykinin peptides receptor 99D 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptide Y receptor 0.008 0.1023 0.7258
Plasmodium falciparum enoyl-acyl carrier reductase 0.0438 0.7174 1
Schistosoma mansoni neuropeptide f receptor 76f 0.008 0.1023 0.7258
Brugia malayi Dopamine receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptide receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) neuropeptide F receptor 0.008 0.1023 0.7258
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Brugia malayi putative neuropeptide receptor 0.008 0.1023 0.7258
Echinococcus granulosus 7tm_1 domain containing protein 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.008 0.1023 0.7258
Echinococcus multilocularis neuropeptide Y receptor 0.008 0.1023 0.7258
Wolbachia endosymbiont of Brugia malayi (3R)-hydroxymyristoyl-ACP dehydratase 0.0258 0.4083 0.5327
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.1023 0.7258
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Echinococcus granulosus orexin receptor type 2 0.008 0.1023 0.7258
Echinococcus multilocularis G protein coupled receptor 139 0.008 0.1023 0.7258
Echinococcus multilocularis neuropeptide receptor A26 0.008 0.1023 0.7258
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.008 0.1023 0.7258
Schistosoma mansoni amine GPCR 0.008 0.1023 0.7258
Brugia malayi GnHR receptor homolog 0.008 0.1023 0.7258
Loa Loa (eye worm) DNA topoisomerase I 0.0102 0.141 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0438 0.7174 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.008 0.1023 0.7258
Schistosoma mansoni amine GPCR 0.008 0.1023 0.7258
Schistosoma mansoni neuropeptide F-like receptor 0.008 0.1023 0.7258
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0053 0.056 0.5
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis g protein coupled receptor 0.008 0.1023 0.7258
Brugia malayi G protein-coupled receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) G-protein coupled receptor 0.008 0.1023 0.7258
Echinococcus granulosus dro:myosuppressin receptor 0.008 0.1023 0.7258
Echinococcus multilocularis orexin receptor type 2 0.008 0.1023 0.7258
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.056 0.0248
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.008 0.1023 0.7258
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.008 0.1023 0.7258
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.008 0.1023 0.7258
Echinococcus multilocularis biogenic amine (5HT) receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis neuropeptide s receptor 0.008 0.1023 0.7258
Schistosoma mansoni hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni amine GPCR 0.008 0.1023 0.7258
Echinococcus granulosus alpha 1A adrenergic receptor 0.008 0.1023 0.7258
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.008 0.1023 0.7258
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0053 0.056 0.0248
Schistosoma mansoni opsin-like receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0053 0.056 0.0175
Echinococcus multilocularis alpha 1A adrenergic receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.1023 0.7258
Loa Loa (eye worm) TYRA-2 protein 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptide receptor A26 0.008 0.1023 0.7258
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.008 0.1023 0.7258
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Schistosoma mansoni hypothetical protein 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Loa Loa (eye worm) retinol dehydrogenase 12 0.0043 0.0392 0.278
Brugia malayi neuropeptide F receptor 0.008 0.1023 0.7258
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0438 0.7174 1
Schistosoma mansoni neuropeptide F-like receptor 0.008 0.1023 0.7258
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.056 0.0248
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.008 0.1023 0.7258
Brugia malayi Melatonin receptor type 1A 0.008 0.1023 0.7258
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.008 0.1023 0.7258
Schistosoma mansoni neuropeptide receptor 0.008 0.1023 0.7258
Trichomonas vaginalis hypothetical protein 0.0438 0.7174 0.5
Schistosoma mansoni biogenic amine receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Brugia malayi putative neuropeptide receptor NPR1 0.008 0.1023 0.7258
Echinococcus multilocularis neuropeptide Y receptor 0.008 0.1023 0.7258
Schistosoma mansoni adenoreceptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis serotonin receptor 0.008 0.1023 0.7258
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0053 0.056 0.3973
Echinococcus granulosus G protein coupled receptor 139 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni biogenic amine (dopamine) receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptides capa receptor 0.008 0.1023 0.7258
Echinococcus multilocularis fmrfamide receptor 0.008 0.1023 0.7258
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0053 0.056 0.0175
Echinococcus multilocularis tachykinin peptides receptor 99D 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.008 0.1023 0.7258
Echinococcus multilocularis rhodopsin orphan GPCR 0.008 0.1023 0.7258
Schistosoma mansoni growth hormone secretagogue receptor 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptide Y receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0438 0.7174 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Brugia malayi hypothetical protein 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Echinococcus granulosus DNA topoisomerase 1 0.0102 0.141 1
Echinococcus granulosus g protein coupled receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) G-protein coupled receptor 0.008 0.1023 0.7258
Brugia malayi ORL1-like opioid receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0438 0.7174 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.008 0.1023 0.7258
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.008 0.1023 0.7258
Brugia malayi RE15519p 0.008 0.1023 0.7258
Brugia malayi AKH receptor 0.008 0.1023 0.7258
Toxoplasma gondii beta-hydroxyacyl-acyl carrier protein dehydratase (FABZ) 0.0258 0.4083 0.5443
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0053 0.056 0.0248
Echinococcus granulosus tm gpcr rhodopsin 0.008 0.1023 0.7258
Echinococcus multilocularis neuropeptide receptor 0.008 0.1023 0.7258
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.008 0.1023 0.7258
Onchocerca volvulus 0.0053 0.056 0.5474
Onchocerca volvulus 0.008 0.1023 1
Schistosoma mansoni hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.1023 0.7258
Toxoplasma gondii DNA topoisomerase I, putative 0.0102 0.141 0.1501
Echinococcus granulosus tm gpcr rhodopsin 0.008 0.1023 0.7258
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.008 0.1023 0.7258
Trypanosoma cruzi DNA topoisomerase type IB small subunit, putative 0.0602 1 1
Echinococcus granulosus g protein coupled receptor 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Echinococcus multilocularis DNA topoisomerase 1 0.0102 0.141 1
Brugia malayi neuropeptide F receptor 0.008 0.1023 0.7258
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.056 0.0248
Echinococcus multilocularis allatostatin A receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Onchocerca volvulus 0.008 0.1023 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.056 0.3973
Echinococcus granulosus biogenic amine 5HT receptor 0.008 0.1023 0.7258
Brugia malayi Dopamine receptor protein 2 0.008 0.1023 0.7258
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.008 0.1023 0.7258
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.056 0.3973
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0053 0.056 0.0248
Echinococcus granulosus rhodopsin orphan GPCR 0.008 0.1023 0.7258
Echinococcus multilocularis fmrfamide receptor 0.008 0.1023 0.7258
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Echinococcus granulosus g protein coupled receptor 0.008 0.1023 0.7258
Schistosoma mansoni alpha-1 adrenergic receptor 0.008 0.1023 0.7258
Schistosoma mansoni neuropeptide receptor 0.008 0.1023 0.7258
Echinococcus granulosus neuropeptide receptor 0.008 0.1023 0.7258
Schistosoma mansoni rhodopsin-like orphan GPCR 0.008 0.1023 0.7258
Schistosoma mansoni dihydropteridine reductase 0.0043 0.0392 0.278
Loa Loa (eye worm) hypothetical protein 0.008 0.1023 0.7258
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.008 0.1023 0.7258
Onchocerca volvulus 0.008 0.1023 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.16 uM IC50 value of the compound was evaluated by measuring the displacement of [3H]-iloprost from Prostaglandin I2 receptor ChEMBL. 1370696
IC50 (binding) = 0.16 uM IC50 value of the compound was evaluated by measuring the displacement of [3H]-iloprost from Prostaglandin I2 receptor ChEMBL. 1370696
IC50 (functional) = 1.5 uM Inhibition of ADP-induced human platelet aggregation ChEMBL. 1370696
IC50 (functional) = 1.5 uM Inhibition of ADP-induced human platelet aggregation ChEMBL. 1370696

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 1370696

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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