Detailed information for compound 305031

Basic information

Technical information
  • TDR Targets ID: 305031
  • Name: (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5 -[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3 -yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl) pyrrolidin-1-yl]acetic acid
  • MW: 654.78 | Formula: C37H46F4N4O2
  • H donors: 1 H acceptors: 3 LogP: 5.63 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCn1nc(cc1C1CCN(CC1)C[C@H]1CN(C[C@@H]1c1cccc(c1)F)[C@H](C1CCCCC1)C(=O)O)Cc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C37H46F4N4O2/c1-2-45-34(21-32(42-45)19-25-11-13-30(14-12-25)37(39,40)41)26-15-17-43(18-16-26)22-29-23-44(24-33(29)28-9-6-10-31(38)20-28)35(36(46)47)27-7-4-3-5-8-27/h6,9-14,20-21,26-27,29,33,35H,2-5,7-8,15-19,22-24H2,1H3,(H,46,47)/t29-,33+,35+/m0/s1
  • InChiKey: QIEIGBFFSMMDGS-HMQVCXRFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-3-pyrazolyl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)-1-pyrrolidinyl]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]piperidin-1-yl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]ethanoic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-[4-(trifluoromethyl)benzyl]pyrazol-3-yl]piperidino]methyl]-4-(3-fluorophenyl)pyrrolidino]acetic acid
  • (2R)-2-cyclohexyl-2-[(3S,4S)-3-[[4-[2-ethyl-5-[4-(trifluoromethyl)benzyl]pyrazol-3-yl]-1-piperidyl]methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
  • (2R)-Cyclohexyl[(3S,4S)-3-[(4-{1-ethyl-3-[4-(trifluoromethyl)benzyl]-1H-pyrazol-5-yl}piperidin-1-yl)methyl]-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
  • AIDS-193269
  • AIDS193269

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-C motif) receptor 2 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 hypothetical protein 0.0105 0.118 0.1641
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1033 0.237
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Schistosoma mansoni adenoreceptor 0.0105 0.118 0.2634
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0105 0.118 0.118
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Onchocerca volvulus 0.0105 0.118 0.3824
Onchocerca volvulus 0.0105 0.118 0.3824
Onchocerca volvulus 0.0105 0.118 0.3824
Echinococcus multilocularis rhodopsin orphan GPCR 0.0105 0.118 0.118
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0172 0.0218
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1033 0.1033
Echinococcus multilocularis neuropeptide receptor A26 0.0105 0.118 0.118
Echinococcus granulosus allatostatin A receptor 0.0105 0.118 0.2707
Echinococcus granulosus biogenic amine 5HT receptor 0.0105 0.118 0.2707
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0242 0.292 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.1033 0.4223
Echinococcus granulosus 7tm_1 domain containing protein 0.0105 0.118 0.2707
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0105 0.118 0.4822
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0213 0.0395
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0105 0.118 0.118
Echinococcus multilocularis orexin receptor type 2 0.0105 0.118 0.118
Brugia malayi larval opioid receptor 0.0105 0.118 0.1641
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus granulosus sex peptide receptor 0.0105 0.118 0.2707
Schistosoma mansoni opsin-like receptor 0.0105 0.118 0.2634
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0105 0.118 0.2634
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1462 0.3287
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0105 0.118 0.2707
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0105 0.118 0.4822
Entamoeba histolytica modulator of drug activity B homolog, putative 0.006 0.0609 1
Brugia malayi Serotonin receptor 0.057 0.7099 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus granulosus tm gpcr rhodopsin 0.0105 0.118 0.2707
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0105 0.118 0.118
Brugia malayi sulfakinin receptor protein 0.0105 0.118 0.1641
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis g protein coupled receptor 0.0105 0.118 0.118
Echinococcus granulosus geminin 0.0355 0.436 1
Schistosoma mansoni hypothetical protein 0.0355 0.436 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0043 0.0174
Echinococcus granulosus neuropeptide receptor 0.0105 0.118 0.2707
Schistosoma mansoni lamin 0.0026 0.0172 0.03
Brugia malayi G-protein coupled receptor 0.0105 0.118 0.1641
Loa Loa (eye worm) G-protein coupled receptor 0.0105 0.118 0.4822
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis sex peptide receptor 0.0105 0.118 0.118
Schistosoma mansoni hypothetical protein 0.0105 0.118 0.2634
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0043 0.0098
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0105 0.118 0.2634
Echinococcus multilocularis neuropeptide Y receptor 0.0105 0.118 0.118
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1033 0.2295
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis tar DNA binding protein 0.0127 0.1462 0.1462
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1325 0.5415
Schistosoma mansoni amine GPCR 0.0105 0.118 0.2634
Echinococcus multilocularis neuropeptide s receptor 0.0105 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0105 0.118 0.1641
Echinococcus granulosus GPCR family 2 0.0016 0.0043 0.0098
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0105 0.118 0.2634
Brugia malayi follicle stimulating hormone receptor 0.0105 0.118 0.1641
Schistosoma mansoni neuropeptide receptor 0.0105 0.118 0.2634
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0105 0.118 0.118
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0105 0.118 0.4822
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1033 0.2295
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Echinococcus granulosus 7TM GPCR rhodopsin 0.0105 0.118 0.2707
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1462 0.3287
Echinococcus granulosus neuropeptide s receptor 0.0105 0.118 0.2707
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0105 0.118 0.118
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1325 0.5415
Echinococcus granulosus rhodopsin orphan GPCR 0.0105 0.118 0.2707
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0172 0.0704
Echinococcus multilocularis neuropeptide receptor 0.0105 0.118 0.118
Echinococcus granulosus neuropeptides capa receptor 0.0105 0.118 0.2707
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Brugia malayi Melatonin receptor type 1A 0.0105 0.118 0.1641
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis serotonin receptor 0.0105 0.118 0.118
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0213 0.0489
Brugia malayi TAR-binding protein 0.0127 0.1462 0.2039
Onchocerca volvulus 0.0105 0.118 0.3824
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0105 0.118 0.118
Loa Loa (eye worm) neuropeptide F receptor 0.0105 0.118 0.4822
Schistosoma mansoni opsin-like receptor 0.0105 0.118 0.2634
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0105 0.118 0.2634
Echinococcus granulosus neuropeptide receptor 0.0105 0.118 0.2707
Echinococcus granulosus rhodopsin orphan GPCR 0.0105 0.118 0.2707
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis rhodopsin orphan GPCR 0.0105 0.118 0.118
Echinococcus multilocularis neuropeptide FF receptor 2 0.0105 0.118 0.118
Brugia malayi neuropeptide F receptor 0.0105 0.118 0.1641
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.1033 0.237
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Schistosoma mansoni hypothetical protein 0.0034 0.0279 0.0547
Onchocerca volvulus 0.0105 0.118 0.3824
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis neuropeptide Y receptor 0.0105 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Schistosoma mansoni biogenic amine (5HT) receptor 0.0105 0.118 0.2634
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0105 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0105 0.118 0.2707
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0213 0.0395
Echinococcus granulosus tm gpcr rhodopsin 0.0105 0.118 0.2707
Echinococcus granulosus g protein coupled receptor 0.0105 0.118 0.2707
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.1462 0.5973
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0482 0.0656
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1462 0.3287
Echinococcus granulosus rhodopsin orphan GPCR 0.0105 0.118 0.2707
Brugia malayi G protein-coupled receptor 0.0105 0.118 0.1641
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0105 0.118 0.1641
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Schistosoma mansoni amine GPCR 0.0105 0.118 0.2634
Schistosoma mansoni intermediate filament proteins 0.0026 0.0172 0.03
Loa Loa (eye worm) hypothetical protein 0.0034 0.0279 0.1139
Echinococcus granulosus peptide allatostatin:somatostatin 0.0105 0.118 0.2707
Onchocerca volvulus 0.0105 0.118 0.3824
Echinococcus granulosus dro:myosuppressin receptor 0.0105 0.118 0.2707
Schistosoma mansoni neuropeptide F-like receptor 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0026 0.0172 0.0704
Onchocerca volvulus 0.0105 0.118 0.3824
Schistosoma mansoni hypothetical protein 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis g protein coupled receptor 0.0105 0.118 0.118
Brugia malayi MH2 domain containing protein 0.0117 0.1325 0.1846
Entamoeba histolytica iron-sulfur flavoprotein, putative 0.006 0.0609 1
Onchocerca volvulus 0.0105 0.118 0.3824
Onchocerca volvulus 0.0105 0.118 0.3824
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0242 0.292 1
Loa Loa (eye worm) TYRA-2 protein 0.0105 0.118 0.4822
Onchocerca volvulus 0.0105 0.118 0.3824
Loa Loa (eye worm) hypothetical protein 0.0016 0.0043 0.0174
Schistosoma mansoni hypothetical protein 0.0105 0.118 0.2634
Echinococcus multilocularis GPCR, family 2 0.0016 0.0043 0.0043
Onchocerca volvulus 0.0233 0.2807 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0105 0.118 0.2634
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus granulosus hypothetical protein 0.0105 0.118 0.2707
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Onchocerca volvulus 0.0105 0.118 0.3824
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0105 0.118 0.2634
Echinococcus multilocularis rhodopsin orphan GPCR 0.0105 0.118 0.118
Brugia malayi RE15519p 0.0105 0.118 0.1641
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis G-protein coupled receptor, putative 0.0105 0.118 0.118
Schistosoma mansoni hypothetical protein 0.0035 0.029 0.0573
Echinococcus granulosus orexin receptor type 2 0.0105 0.118 0.2707
Echinococcus granulosus neuropeptide FF receptor 2 0.0105 0.118 0.2707
Echinococcus granulosus somatostatin receptor 0.0105 0.118 0.2707
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Echinococcus multilocularis allatostatin A receptor 0.0105 0.118 0.118
Echinococcus granulosus alpha 1A adrenergic receptor 0.0105 0.118 0.2707
Schistosoma mansoni neuropeptide F-like receptor 0.0105 0.118 0.2634
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0105 0.118 0.2707
Brugia malayi Dopamine receptor 0.0105 0.118 0.1641
Echinococcus granulosus tar DNA binding protein 0.0127 0.1462 0.3352
Echinococcus multilocularis fmrfamide receptor 0.0105 0.118 0.118
Echinococcus multilocularis rhodopsin orphan GPCR 0.0105 0.118 0.118
Schistosoma mansoni neuropeptide receptor 0.0105 0.118 0.2634
Giardia lamblia NADPH oxidoreductase, putative 0.0242 0.292 0.5
Brugia malayi Pre-SET motif family protein 0.0205 0.2447 0.3431
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.1033 0.2295
Brugia malayi AKH receptor 0.0105 0.118 0.1641
Echinococcus granulosus neuropeptides capa receptor 0.0105 0.118 0.2707
Trichomonas vaginalis set domain proteins, putative 0.0233 0.2807 0.9514
Echinococcus multilocularis rhodopsin orphan GPCR 0.0105 0.118 0.118
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0105 0.118 0.2634
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0105 0.118 0.2634
Brugia malayi G-protein coupled receptor 0.0105 0.118 0.1641
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis G protein coupled receptor 139 0.0105 0.118 0.118
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0043 0.0035
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0172 0.0704
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Plasmodium vivax SET domain protein, putative 0.0029 0.0213 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Onchocerca volvulus 0.0105 0.118 0.3824
Schistosoma mansoni lamin 0.0026 0.0172 0.03
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2447 1
Echinococcus granulosus g protein coupled receptor 0.0105 0.118 0.2707
Echinococcus granulosus rhodopsin orphan GPCR 0.0105 0.118 0.2707
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0213 0.5
Schistosoma mansoni opsin-like receptor 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0105 0.118 0.2634
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Loa Loa (eye worm) G-protein coupled receptor 0.0105 0.118 0.4822
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1462 0.3287
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0105 0.118 0.118
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0105 0.118 0.2634
Echinococcus granulosus serotonin receptor 0.0105 0.118 0.2707
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0213 0.0395
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0105 0.118 0.4822
Echinococcus multilocularis rhodopsin orphan GPCR 0.0105 0.118 0.118
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0018 0.0072
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Schistosoma mansoni amine GPCR 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Onchocerca volvulus 0.0105 0.118 0.3824
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.029 0.029
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus granulosus g protein coupled receptor 0.0105 0.118 0.2707
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Echinococcus granulosus fmrfamide receptor 0.0105 0.118 0.2707
Echinococcus multilocularis neuropeptides capa receptor 0.0105 0.118 0.118
Echinococcus multilocularis g-protein coupled receptor 0.0105 0.118 0.118
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Brugia malayi hypothetical protein 0.0035 0.029 0.0385
Onchocerca volvulus 0.0105 0.118 0.3824
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0105 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis somatostatin receptor 0.0105 0.118 0.118
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0105 0.118 0.118
Schistosoma mansoni biogenic amine (5HT) receptor 0.0105 0.118 0.2634
Echinococcus multilocularis serotonin receptor 0.0105 0.118 0.118
Echinococcus granulosus rhodopsin orphan GPCR 0.0105 0.118 0.2707
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0482 0.0656
Echinococcus granulosus G protein coupled receptor 139 0.0105 0.118 0.2707
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0105 0.118 0.2707
Echinococcus granulosus lamin dm0 0.0026 0.0172 0.0395
Loa Loa (eye worm) melatonin receptor type 1A 0.0105 0.118 0.4822
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis lamin dm0 0.0026 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0355 0.436 1
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Giardia lamblia NADPH oxidoreductase, putative 0.0242 0.292 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0105 0.118 0.2707
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0482 0.1971
Schistosoma mansoni tar DNA-binding protein 0.0127 0.1462 0.3287
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0105 0.118 0.118
Schistosoma mansoni hypothetical protein 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Loa Loa (eye worm) TAR-binding protein 0.0127 0.1462 0.5973
Echinococcus granulosus intermediate filament protein 0.0026 0.0172 0.0395
Echinococcus multilocularis geminin 0.0355 0.436 0.436
Brugia malayi putative neuropeptide receptor 0.0105 0.118 0.1641
Echinococcus granulosus tachykinin peptides receptor 99D 0.0105 0.118 0.2707
Echinococcus granulosus biogenic amine 5HT receptor 0.0105 0.118 0.2707
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0105 0.118 0.2634
Brugia malayi Pre-SET motif family protein 0.0029 0.0213 0.0276
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.1462 0.2039
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0213 0.0395
Brugia malayi Dopamine receptor protein 2 0.0105 0.118 0.1641
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0279 0.0369
Echinococcus multilocularis lamin 0.0026 0.0172 0.0172
Echinococcus multilocularis musashi 0.0026 0.0172 0.0172
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.1033 0.1434
Echinococcus granulosus neuropeptide receptor A26 0.0105 0.118 0.2707
Entamoeba histolytica hypothetical protein 0.006 0.0609 1
Echinococcus granulosus g-protein coupled receptor 0.0105 0.118 0.2707
Schistosoma mansoni neuropeptide receptor 0.0105 0.118 0.2634
Schistosoma mansoni amine GPCR 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0029 0.0213 0.0872
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0043 0.0098
Echinococcus multilocularis g protein coupled receptor 0.0105 0.118 0.118
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Onchocerca volvulus 0.0105 0.118 0.3824
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus multilocularis neuropeptides capa receptor 0.0105 0.118 0.118
Schistosoma mansoni amine GPCR 0.0105 0.118 0.2634
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0105 0.118 0.4822
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0105 0.118 0.118
Brugia malayi G protein-coupled receptor F59B2.13 0.0105 0.118 0.1641
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0043 0.0035
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0105 0.118 0.118
Schistosoma mansoni growth hormone secretagogue receptor 0.0105 0.118 0.2634
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0242 0.292 1
Echinococcus multilocularis neuropeptide receptor 0.0105 0.118 0.118
Schistosoma mansoni biogenic amine receptor 0.0105 0.118 0.2634
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Onchocerca volvulus Neuropeptide F receptor homolog 0.0105 0.118 0.3824
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0105 0.118 0.2707
Trichomonas vaginalis conserved hypothetical protein 0.0181 0.215 0.6669
Schistosoma mansoni histamine h1 receptor 0.0105 0.118 0.2634
Onchocerca volvulus 0.0029 0.0213 0.0155
Schistosoma mansoni biogenic amine receptor 0.0105 0.118 0.2634
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0105 0.118 0.2634
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.1033 0.1033
Echinococcus multilocularis rhodopsin orphan GPCR 0.0105 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.02 0.0458
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0105 0.118 0.2634
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0105 0.118 0.118
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0105 0.118 0.2707
Loa Loa (eye worm) hypothetical protein 0.005 0.0482 0.1971
Giardia lamblia NADPH oxidoreductase, putative 0.0242 0.292 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0105 0.118 0.1641
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Brugia malayi Tachykinin-like peptides receptor 99D 0.0105 0.118 0.1641
Echinococcus granulosus tm gpcr rhodopsin 0.0105 0.118 0.2707
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Schistosoma mansoni neuropeptide receptor 0.0105 0.118 0.2634
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0043 0.0043
Brugia malayi Dopamine receptor protein 1 0.0105 0.118 0.1641
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.029 0.0665
Brugia malayi ORL1-like opioid receptor 0.0105 0.118 0.1641
Brugia malayi putative neuropeptide receptor NPR1 0.0105 0.118 0.1641
Brugia malayi intermediate filament protein 0.0026 0.0172 0.0218
Brugia malayi Serotonin receptor 0.0105 0.118 0.1641
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0213 0.0213
Loa Loa (eye worm) RNA binding protein 0.0127 0.1462 0.5973
Schistosoma mansoni alpha-1 adrenergic receptor 0.0105 0.118 0.2634
Loa Loa (eye worm) neuropeptide F receptor 0.0105 0.118 0.4822
Schistosoma mansoni biogenic amine receptor 0.0105 0.118 0.2634
Echinococcus multilocularis rhodopsin orphan GPCR 0.0105 0.118 0.118
Echinococcus multilocularis dro:myosuppressin receptor 0.0105 0.118 0.118
Echinococcus granulosus lamin 0.0026 0.0172 0.0395
Schistosoma mansoni myosin xvIII 0.0105 0.118 0.2634
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0105 0.118 0.1641
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.029 0.0573
Brugia malayi hypothetical protein 0.0105 0.118 0.1641
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Brugia malayi GnHR receptor homolog 0.0105 0.118 0.1641
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0105 0.118 0.1641
Echinococcus multilocularis fmrfamide receptor 0.0105 0.118 0.118
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus granulosus rhodopsin orphan GPCR 0.0105 0.118 0.2707
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Echinococcus granulosus neuropeptide Y receptor 0.0105 0.118 0.2707
Brugia malayi neuropeptide F receptor 0.0105 0.118 0.1641
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0166 0.068
Onchocerca volvulus 0.0105 0.118 0.3824
Onchocerca volvulus 0.0105 0.118 0.3824
Brugia malayi RNA binding protein 0.0127 0.1462 0.2039
Loa Loa (eye worm) hypothetical protein 0.0105 0.118 0.4822
Echinococcus granulosus rhodopsin orphan GPCR 0.0105 0.118 0.2707
Trichomonas vaginalis conserved hypothetical protein 0.0242 0.292 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0105 0.118 0.2634
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0105 0.118 0.3824

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.5 nM Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell ChEMBL. 15012999
IC50 (binding) = 1.5 nM Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell ChEMBL. 15012999
IC90 (functional) = 0.4 nM Antiviral activities in a cell culture HIV-1 infectivity inhibition assay using HeLa cells ChEMBL. 15012999
IC90 (functional) = 0.4 nM Antiviral activities in a cell culture HIV-1 infectivity inhibition assay using HeLa cells ChEMBL. 15012999
IC90 (functional) = 33 nM Antiviral activities in a cell culture HIV-1 infectivity inhibition assay using HeLa cells plus 50% normal human serum ChEMBL. 15012999
IC90 (functional) = 33 nM Antiviral activities in a cell culture HIV-1 infectivity inhibition assay using HeLa cells plus 50% normal human serum ChEMBL. 15012999

Phenotypes

Whole-cell/tissue/organism interactions

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

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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