Detailed information for compound 263648

Basic information

Technical information
  • TDR Targets ID: 263648
  • Name: 2-[3-oxo-4-phenethyl-8-(2-piperidin-4-ylethyl carbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2 -yl]acetic acid
  • MW: 478.583 | Formula: C27H34N4O4
  • H donors: 4 H acceptors: 4 LogP: 0.16 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC1Nc2cc(ccc2CN(C1=O)CCc1ccccc1)C(=O)NCCC1CCNCC1
  • InChi: 1S/C27H34N4O4/c32-25(33)17-24-27(35)31(15-11-19-4-2-1-3-5-19)18-22-7-6-21(16-23(22)30-24)26(34)29-14-10-20-8-12-28-13-9-20/h1-7,16,20,24,28,30H,8-15,17-18H2,(H,29,34)(H,32,33)
  • InChiKey: FEURVUPSCVOVSS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[3-oxo-4-phenethyl-8-[2-(4-piperidyl)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[3-oxo-8-[oxo-[2-(4-piperidinyl)ethylamino]methyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[3-oxo-4-phenethyl-8-(2-piperidin-4-ylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid
  • 2-[3-keto-4-phenethyl-8-[2-(4-piperidyl)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[3-oxo-4-(2-phenylethyl)-8-(2-piperidin-4-ylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[3-oxo-4-(2-phenylethyl)-8-[2-(4-piperidyl)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[3-oxo-8-[oxo-[2-(4-piperidinyl)ethylamino]methyl]-4-(2-phenylethyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[3-keto-4-(2-phenylethyl)-8-[2-(4-piperidyl)ethylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid
  • 2-[3-oxo-4-(2-phenylethyl)-8-(2-piperidin-4-ylethylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41) Starlite/ChEMBL References
Homo sapiens integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61) References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin beta subunit Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin alpha pat-2 Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum Integrin beta-PS precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus multilocularis integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Brugia malayi Integrin beta pat-3 precursor Get druggable targets OG5_127959 All targets in OG5_127959
Echinococcus granulosus integrin alpha 3 Get druggable targets OG5_129341 All targets in OG5_129341
Brugia malayi Integrin alpha pat-2 precursor Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus multilocularis integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum Integrin beta-3 precursor, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06464 integrin beta 2, putative Get druggable targets OG5_127959 All targets in OG5_127959
Schistosoma japonicum ko:K06476 integrin alpha 2B, putative Get druggable targets OG5_129341 All targets in OG5_129341
Echinococcus granulosus integrin beta 2 Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) integrin beta-2 Get druggable targets OG5_127959 All targets in OG5_127959
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma japonicum IPR013513,Integrin alpha chain, C-terminal cytoplasmic region,domain-containing Get druggable targets OG5_129341 All targets in OG5_129341
Schistosoma mansoni integrin alpha Get druggable targets OG5_129341 All targets in OG5_129341
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 g protein coupled receptor 0.0235 0.4006 0.6758
Schistosoma mansoni neuropeptide receptor 0.0235 0.4006 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0235 0.4006 0.6758
Echinococcus multilocularis neuropeptide receptor 0.0235 0.4006 0.6758
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0235 0.4006 0.4006
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0235 0.4006 1
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni neuropeptide receptor 0.0235 0.4006 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0235 0.4006 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0235 0.4006 0.6758
Echinococcus multilocularis neuropeptides capa receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis sex peptide receptor 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Echinococcus granulosus allatostatin A receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0235 0.4006 0.6758
Schistosoma mansoni integrin beta subunit 0.0223 0.3481 0.7524
Echinococcus granulosus g protein coupled receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) integrin alpha pat-2 0.0285 0.6077 0.6077
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus granulosus rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Schistosoma mansoni biogenic amine (5HT) receptor 0.0235 0.4006 1
Onchocerca volvulus 0.0235 0.4006 0.5
Schistosoma mansoni hypothetical protein 0.0235 0.4006 1
Echinococcus granulosus tm gpcr rhodopsin 0.0235 0.4006 0.6758
Brugia malayi G protein-coupled receptor F59B2.13 0.0235 0.4006 0.4006
Echinococcus granulosus neuropeptide s receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus multilocularis dro:myosuppressin receptor 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Onchocerca volvulus 0.0235 0.4006 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) G-protein coupled receptor 0.0235 0.4006 0.4006
Schistosoma mansoni amine GPCR 0.0235 0.4006 1
Echinococcus multilocularis neuropeptide Y receptor 0.0235 0.4006 0.6758
Brugia malayi Dopamine receptor 0.0235 0.4006 0.4006
Echinococcus multilocularis g protein coupled receptor 0.0235 0.4006 0.6758
Schistosoma mansoni amine GPCR 0.0235 0.4006 1
Loa Loa (eye worm) TYRA-2 protein 0.0235 0.4006 0.4006
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0235 0.4006 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0235 0.4006 0.6758
Schistosoma mansoni growth hormone secretagogue receptor 0.0235 0.4006 1
Schistosoma mansoni opsin-like receptor 0.0235 0.4006 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus granulosus neuropeptide receptor 0.0235 0.4006 0.6758
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 1 0.0315 0.7359 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0235 0.4006 0.6758
Brugia malayi putative neuropeptide receptor NPR1 0.0235 0.4006 0.4006
Echinococcus granulosus fmrfamide receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis allatostatin A receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Onchocerca volvulus 0.0235 0.4006 0.5
Brugia malayi Melatonin receptor type 1A 0.0235 0.4006 0.4006
Schistosoma mansoni neuropeptide receptor 0.0235 0.4006 1
Plasmodium falciparum V-type K+-independent H+-translocating inorganic pyrophosphatase 0.0315 0.7359 0.5
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Brugia malayi AKH receptor 0.0235 0.4006 0.4006
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0235 0.4006 0.6758
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Echinococcus granulosus 7TM GPCR rhodopsin 0.0235 0.4006 0.6758
Echinococcus granulosus rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0235 0.4006 0.6758
Brugia malayi Integrin alpha pat-2 precursor 0.0185 0.1886 0.1886
Loa Loa (eye worm) neuropeptide F receptor 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus granulosus peptide allatostatin:somatostatin 0.0235 0.4006 0.6758
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0145 0.0222 0.0222
Schistosoma mansoni biogenic amine receptor 0.0235 0.4006 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0235 0.4006 0.6758
Brugia malayi neuropeptide F receptor 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0235 0.4006 1
Trypanosoma cruzi Vacuolar proton pyrophosphatase 1, putative 0.0315 0.7359 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0235 0.4006 0.6758
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Echinococcus granulosus neuropeptide receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0235 0.4006 1
Schistosoma mansoni hypothetical protein 0.0235 0.4006 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0235 0.4006 0.6758
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus multilocularis neuropeptide s receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Trypanosoma cruzi vacuolar-type proton translocating pyrophosphatase 1 0.0315 0.7359 0.5
Onchocerca volvulus 0.0235 0.4006 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0235 0.4006 0.4006
Loa Loa (eye worm) integrin beta-2 0.0378 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0235 0.4006 0.6758
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0235 0.4006 1
Brugia malayi G-protein coupled receptor 0.0235 0.4006 0.4006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0235 0.4006 0.4006
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0235 0.4006 0.6758
Echinococcus granulosus neuropeptide Y receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis G protein coupled receptor 139 0.0235 0.4006 0.6758
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Echinococcus multilocularis fmrfamide receptor 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0235 0.4006 1
Echinococcus granulosus somatostatin receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0235 0.4006 0.6758
Plasmodium falciparum V-type H(+)-translocating pyrophosphatase, putative 0.0315 0.7359 0.5
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Toxoplasma gondii V-type H(+)-translocating pyrophosphatase VP1 0.0315 0.7359 0.5
Brugia malayi Dopamine receptor protein 2 0.0235 0.4006 0.4006
Schistosoma mansoni hypothetical protein 0.0235 0.4006 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0235 0.4006 0.4006
Echinococcus granulosus biogenic amine 5HT receptor 0.0235 0.4006 0.6758
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0235 0.4006 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0235 0.4006 0.6758
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Brugia malayi Serotonin receptor 0.0235 0.4006 0.4006
Echinococcus multilocularis neuropeptide Y receptor 0.0235 0.4006 0.6758
Brugia malayi Dopamine receptor protein 1 0.0235 0.4006 0.4006
Echinococcus multilocularis orexin receptor type 2 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0235 0.4006 0.6758
Echinococcus granulosus hypothetical protein 0.0235 0.4006 0.6758
Echinococcus granulosus neuropeptide FF receptor 2 0.0235 0.4006 0.6758
Brugia malayi follicle stimulating hormone receptor 0.0235 0.4006 0.4006
Echinococcus granulosus g protein coupled receptor 0.0235 0.4006 0.6758
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Echinococcus granulosus 7tm_1 domain containing protein 0.0235 0.4006 0.6758
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0235 0.4006 1
Schistosoma mansoni opsin-like receptor 0.0235 0.4006 1
Echinococcus granulosus orexin receptor type 2 0.0235 0.4006 0.6758
Leishmania major vacuolar-type proton translocating pyrophosphatase 1, putative 0.0315 0.7359 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Brugia malayi G protein-coupled receptor 0.0235 0.4006 0.4006
Echinococcus granulosus rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus multilocularis rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Brugia malayi Serotonin receptor 0.0235 0.4006 0.4006
Echinococcus multilocularis neuropeptides capa receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Plasmodium vivax vacuolar-type H+ pumping pyrophosphatase, putative 0.0315 0.7359 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis somatostatin receptor 0.0235 0.4006 0.6758
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0235 0.4006 1
Schistosoma mansoni hypothetical protein 0.0235 0.4006 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Echinococcus granulosus rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Echinococcus granulosus integrin beta 2 0.028 0.589 1
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Echinococcus multilocularis fmrfamide receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Echinococcus multilocularis serotonin receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis G-protein coupled receptor, putative 0.0235 0.4006 0.6758
Echinococcus granulosus rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0235 0.4006 0.6758
Echinococcus granulosus serotonin receptor 0.0235 0.4006 0.6758
Schistosoma mansoni amine GPCR 0.0235 0.4006 1
Echinococcus granulosus neuropeptides capa receptor 0.0235 0.4006 0.6758
Schistosoma mansoni neuropeptide receptor 0.0235 0.4006 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0235 0.4006 0.4006
Brugia malayi G-protein coupled receptor 0.0235 0.4006 0.4006
Schistosoma mansoni opsin-like receptor 0.0235 0.4006 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0235 0.4006 0.4006
Schistosoma mansoni biogenic amine (5HT) receptor 0.0235 0.4006 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) neuropeptide F receptor 0.0235 0.4006 0.4006
Echinococcus multilocularis rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0235 0.4006 0.5
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) melatonin receptor type 1A 0.0235 0.4006 0.4006
Schistosoma mansoni biogenic amine receptor 0.0235 0.4006 1
Echinococcus granulosus G protein coupled receptor 139 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0235 0.4006 0.4006
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0235 0.4006 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0235 0.4006 0.4006
Onchocerca volvulus 0.0235 0.4006 0.5
Schistosoma mansoni amine GPCR 0.0235 0.4006 1
Echinococcus multilocularis neuropeptide receptor A26 0.0235 0.4006 0.6758
Brugia malayi larval opioid receptor 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Brugia malayi sulfakinin receptor protein 0.0235 0.4006 0.4006
Onchocerca volvulus 0.0235 0.4006 0.5
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0235 0.4006 0.6758
Echinococcus multilocularis g protein coupled receptor 0.0235 0.4006 0.6758
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0235 0.4006 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0235 0.4006 1
Brugia malayi ORL1-like opioid receptor 0.0235 0.4006 0.4006
Echinococcus granulosus g-protein coupled receptor 0.0235 0.4006 0.6758
Schistosoma mansoni biogenic amine receptor 0.0235 0.4006 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni adenoreceptor 0.0235 0.4006 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Schistosoma mansoni neuropeptide F-like receptor 0.0235 0.4006 1
Plasmodium vivax V-type H(+)-translocating pyrophosphatase, putative 0.0315 0.7359 0.5
Brugia malayi hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni alpha-1 adrenergic receptor 0.0235 0.4006 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0235 0.4006 0.4006
Loa Loa (eye worm) G-protein coupled receptor 0.0235 0.4006 0.4006
Echinococcus granulosus alpha 1A adrenergic receptor 0.0235 0.4006 0.6758
Echinococcus granulosus sex peptide receptor 0.0235 0.4006 0.6758
Brugia malayi neuropeptide F receptor 0.0235 0.4006 0.4006
Echinococcus granulosus neuropeptide receptor A26 0.0235 0.4006 0.6758
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0235 0.4006 1
Brugia malayi putative neuropeptide receptor 0.0235 0.4006 0.4006
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0235 0.4006 0.6758
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0235 0.4006 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0235 0.4006 0.6758
Schistosoma mansoni myosin xvIII 0.0235 0.4006 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni amine GPCR 0.0235 0.4006 1
Onchocerca volvulus 0.0235 0.4006 0.5
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus granulosus neuropeptides capa receptor 0.0235 0.4006 0.6758
Echinococcus granulosus g protein coupled receptor 0.0235 0.4006 0.6758
Brugia malayi Tachykinin-like peptides receptor 99D 0.0235 0.4006 0.4006
Echinococcus multilocularis neuropeptide receptor 0.0235 0.4006 0.6758
Brugia malayi RE15519p 0.0235 0.4006 0.4006
Echinococcus multilocularis integrin beta 2 0.028 0.589 1
Brugia malayi GnHR receptor homolog 0.0235 0.4006 0.4006
Schistosoma mansoni neuropeptide f receptor 76f 0.0235 0.4006 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0235 0.4006 0.6758
Schistosoma mansoni histamine h1 receptor 0.0235 0.4006 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus multilocularis serotonin receptor 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Schistosoma mansoni neuropeptide F-like receptor 0.0235 0.4006 1
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Trypanosoma brucei Pyrophosphate-energized vacuolar membrane proton pump 2, putative 0.0315 0.7359 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0235 0.4006 0.6758
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Loa Loa (eye worm) hypothetical protein 0.0235 0.4006 0.4006
Echinococcus multilocularis rhodopsin orphan GPCR 0.0235 0.4006 0.6758
Onchocerca volvulus 0.0235 0.4006 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0235 0.4006 0.6758

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 510 nM Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma. ChEMBL. 10052962
IC50 (functional) = 510 nM Inhibition of ADP-induced platelet aggregation in human platelet-rich plasma. ChEMBL. 10052962
Ki (binding) = 4.7 nM Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human platelets and reconstituted in liposomes ChEMBL. 10052962
Ki (binding) = 4.7 nM Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human platelets and reconstituted in liposomes ChEMBL. 10052962

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10052962

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.