Detailed information for compound 310039

Basic information

Technical information
  • TDR Targets ID: 310039
  • Name: 2-[4-[3-[[(1R)-1-phenylethyl]carbamoyl]phenyl ]phenyl]sulfonylacetic acid
  • MW: 423.482 | Formula: C23H21NO5S
  • H donors: 2 H acceptors: 5 LogP: 3.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CS(=O)(=O)c1ccc(cc1)c1cccc(c1)C(=O)N[C@@H](c1ccccc1)C
  • InChi: 1S/C23H21NO5S/c1-16(17-6-3-2-4-7-17)24-23(27)20-9-5-8-19(14-20)18-10-12-21(13-11-18)30(28,29)15-22(25)26/h2-14,16H,15H2,1H3,(H,24,27)(H,25,26)/t16-/m1/s1
  • InChiKey: PIOOGZRVKAYOEW-MRXNPFEDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[3-[oxo-[[(1R)-1-phenylethyl]amino]methyl]phenyl]phenyl]sulfonylacetic acid
  • 2-[4-[3-[[(1R)-1-phenylethyl]carbamoyl]phenyl]phenyl]sulfonylethanoic acid
  • AIDS-191245
  • AIDS191245
  • Acetic acid, [[3'-[[[(1R)-1-phenylethyl]amino]carbonyl][1,1'-biphenyl]-4-yl]sulfonyl]-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human papillomavirus type 11 Replication protein E1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus granulosus 5'partial|3'partial|non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis transfer RNA-Gly Get druggable targets OG5_182904 All targets in OG5_182904
Schistosoma mansoni hypothetical protein Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis transfer RNA-Trp Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis transfer RNA-Gly Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis transfer RNA-Gly Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
Echinococcus multilocularis non capsid protein NS 1 Get druggable targets OG5_182904 All targets in OG5_182904
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 0.0027 0.229 0.0675
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.229 0.0675
Echinococcus multilocularis allatostatin A receptor 0.0027 0.229 0.0675
Echinococcus multilocularis transfer RNA-Gly 0.0052 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Schistosoma mansoni hypothetical protein 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis neuropeptide Y receptor 0.0027 0.229 0.0675
Echinococcus multilocularis sex peptide receptor 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis g protein coupled receptor 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.2486 1
Echinococcus multilocularis neuropeptides capa receptor 0.0027 0.229 0.0675
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.229 1
Schistosoma mansoni amine GPCR 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Schistosoma mansoni neuropeptide f receptor 76f 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Schistosoma mansoni biogenic amine (5HT) receptor 0.0027 0.229 1
Schistosoma mansoni neuropeptide F-like receptor 0.0027 0.229 1
Echinococcus multilocularis neuropeptides capa receptor 0.0027 0.229 0.0675
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0027 0.229 0.9082
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0027 0.229 1
Echinococcus granulosus tm gpcr rhodopsin 0.0027 0.229 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.229 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Entamoeba histolytica acyl-coA synthetase, putative 0.0028 0.2486 0.5
Echinococcus multilocularis serotonin receptor 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0027 0.229 1
Loa Loa (eye worm) TYRA-2 protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus neuropeptide s receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0027 0.229 0.9082
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.2486 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0027 0.229 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.2486 0.5
Schistosoma mansoni neuropeptide receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0027 0.229 0.0675
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus somatostatin receptor 0.0027 0.229 1
Echinococcus multilocularis neuropeptide receptor A26 0.0027 0.229 0.0675
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0027 0.229 1
Echinococcus granulosus tm gpcr rhodopsin 0.0027 0.229 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0027 0.229 1
Echinococcus multilocularis g-protein coupled receptor 0.0027 0.229 0.0675
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0027 0.229 0.0675
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis G protein coupled receptor 139 0.0027 0.229 0.0675
Schistosoma mansoni hypothetical protein 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.229 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.2486 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0027 0.229 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis neuropeptide receptor 0.0027 0.229 0.0675
Echinococcus granulosus 7TM GPCR rhodopsin 0.0027 0.229 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.2486 1
Echinococcus granulosus g protein coupled receptor 0.0027 0.229 1
Echinococcus multilocularis serotonin receptor 0.0027 0.229 0.0675
Echinococcus granulosus neuropeptides capa receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0027 0.229 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0027 0.229 1
Echinococcus granulosus serotonin receptor 0.0027 0.229 1
Schistosoma mansoni opsin-like receptor 0.0027 0.229 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0346 0.5
Schistosoma mansoni amine GPCR 0.0027 0.229 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0027 0.229 0.0675
Echinococcus multilocularis transfer RNA-Trp 0.0052 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0027 0.229 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Mycobacterium ulcerans hypothetical protein 0.0028 0.2486 1
Loa Loa (eye worm) G-protein coupled receptor 0.0027 0.229 0.9082
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.2486 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus granulosus tachykinin peptides receptor 99D 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.229 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Schistosoma mansoni hypothetical protein 0.0027 0.229 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus g protein coupled receptor 0.0027 0.229 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.229 0.0675
Echinococcus multilocularis neuropeptide s receptor 0.0027 0.229 0.0675
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus granulosus g protein coupled receptor 0.0027 0.229 1
Echinococcus granulosus g-protein coupled receptor 0.0027 0.229 1
Echinococcus multilocularis transfer RNA-Gly 0.0052 1 1
Schistosoma mansoni hypothetical protein 0.0027 0.229 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus granulosus G protein coupled receptor 139 0.0027 0.229 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0027 0.229 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0027 0.229 0.9082
Brugia malayi AMP-binding enzyme family protein 0.0028 0.2486 1
Schistosoma mansoni biogenic amine receptor 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Schistosoma mansoni adenoreceptor 0.0027 0.229 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0027 0.229 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0027 0.229 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) neuropeptide F receptor 0.0027 0.229 0.9082
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0027 0.229 0.0675
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0027 0.229 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.2486 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.229 0.0675
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.229 0.0675
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis neuropeptide receptor 0.0027 0.229 0.0675
Echinococcus granulosus sex peptide receptor 0.0027 0.229 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.2486 1
Echinococcus multilocularis g protein coupled receptor 0.0027 0.229 0.0675
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.2486 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus granulosus orexin receptor type 2 0.0027 0.229 1
Schistosoma mansoni neuropeptide receptor 0.0027 0.229 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Schistosoma mansoni biogenic amine receptor 0.0027 0.229 1
Schistosoma mansoni amine GPCR 0.0027 0.229 1
Echinococcus multilocularis neuropeptide Y receptor 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0028 0.2486 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0027 0.229 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Schistosoma mansoni neuropeptide receptor 0.0027 0.229 1
Echinococcus multilocularis transfer RNA-Gly 0.0052 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.229 1
Schistosoma mansoni opsin-like receptor 0.0027 0.229 1
Schistosoma mansoni amine GPCR 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus granulosus neuropeptides capa receptor 0.0027 0.229 1
Schistosoma mansoni histamine h1 receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Schistosoma mansoni amine GPCR 0.0027 0.229 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.2486 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0027 0.229 0.0675
Echinococcus granulosus neuropeptide Y receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0027 0.229 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0027 0.229 0.9082
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0027 0.229 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0027 0.229 0.0675
Echinococcus granulosus biogenic amine 5HT receptor 0.0027 0.229 1
Echinococcus granulosus neuropeptide receptor 0.0027 0.229 1
Echinococcus granulosus allatostatin A receptor 0.0027 0.229 1
Echinococcus multilocularis fmrfamide receptor 0.0027 0.229 0.0675
Schistosoma mansoni myosin xvIII 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus multilocularis fmrfamide receptor 0.0027 0.229 0.0675
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0346 0.5
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0027 0.229 0.0675
Schistosoma mansoni opsin-like receptor 0.0027 0.229 1
Echinococcus granulosus neuropeptide receptor A26 0.0027 0.229 1
Schistosoma mansoni neuropeptide receptor 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0027 0.229 0.9082
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.2486 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0027 0.229 0.0675
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.2486 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.229 0.0675
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0027 0.229 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Echinococcus granulosus fmrfamide receptor 0.0027 0.229 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0027 0.229 0.0675
Entamoeba histolytica acyl-CoA synthetase, putative 0.0028 0.2486 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Loa Loa (eye worm) G-protein coupled receptor 0.0027 0.229 0.9082
Echinococcus granulosus biogenic amine 5HT receptor 0.0027 0.229 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0027 0.229 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0027 0.229 1
Echinococcus granulosus neuropeptide Y receptor 0.0027 0.229 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0027 0.229 0.0675
Onchocerca volvulus 0.0028 0.2486 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.229 0.0675
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0028 0.2486 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0027 0.229 0.0675
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.229 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.2486 1
Echinococcus multilocularis somatostatin receptor 0.0027 0.229 0.0675
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.2486 1
Echinococcus multilocularis orexin receptor type 2 0.0027 0.229 0.0675
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0027 0.229 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0028 0.2486 1
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0346 0.5
Echinococcus granulosus neuropeptide receptor 0.0027 0.229 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.2486 1
Schistosoma mansoni biogenic amine receptor 0.0027 0.229 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0027 0.229 0.0675
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.229 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.229 0.9082
Leishmania major 4-coumarate:coa ligase-like protein 0.0028 0.2486 0.5
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0346 0.139
Schistosoma mansoni biogenic amine (5HT) receptor 0.0027 0.229 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0027 0.229 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0027 0.229 0.0675
Loa Loa (eye worm) hypothetical protein 0.0028 0.2486 1
Echinococcus granulosus hypothetical protein 0.0027 0.229 1
Echinococcus multilocularis non capsid protein NS 1 0.0052 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0027 0.229 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.043 uM Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase ChEMBL. 14695816
IC50 (functional) = 0.043 uM Ability to inhibit in vitro ATPase activity of human papillomavirus (HPV6) E1 helicase ChEMBL. 14695816

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.

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