Detailed information for compound 186800

Basic information

Technical information
  • TDR Targets ID: 186800
  • Name: (2-hydroxy-6-methylphenyl)-[4-[(3S)-4-[(1S)-1 -(4-iodophenyl)ethyl]-3-methylpiperazin-1-yl] -4-methylpiperidin-1-yl]methanone
  • MW: 561.498 | Formula: C27H36IN3O2
  • H donors: 1 H acceptors: 2 LogP: 5.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Ic1ccc(cc1)[C@@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cccc1O)C
  • InChi: 1S/C27H36IN3O2/c1-19-6-5-7-24(32)25(19)26(33)29-14-12-27(4,13-15-29)30-16-17-31(20(2)18-30)21(3)22-8-10-23(28)11-9-22/h5-11,20-21,32H,12-18H2,1-4H3/t20-,21-/m0/s1
  • InChiKey: KFQDPQKXTSWQOC-SFTDATJTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2-hydroxy-6-methyl-phenyl)-[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]methanone
  • (2-hydroxy-6-methylphenyl)-[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone
  • (2-hydroxy-6-methyl-phenyl)-[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]methanone
  • (2-hydroxy-6-methyl-phenyl)-[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-piperazino]-4-methyl-piperidino]methanone
  • AIDS-032131
  • AIDS032131
  • Phenol, 2-[[4-[(3S)-4-[(1S)-1-(4-iodophenyl)ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]carbonyl]-3-methyl-

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
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0012 0.002 0.002
Echinococcus granulosus rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0012 0.002 0.002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0012 0.002 0.0125
Echinococcus multilocularis neuropeptide Y receptor 0.0026 0.0138 0.0138
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Brugia malayi Cation transporter family protein 0.0012 0.002 0.002
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.0465 0.0465
Schistosoma mansoni opsin-like receptor 0.0026 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0012 0.002 0.002
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0026 0.0138 0.0138
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0519 0.0519
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0161 0.1273 0.1273
Schistosoma mansoni neuropeptide f receptor 76f 0.0026 0.0138 0.0138
Brugia malayi ORL1-like opioid receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0026 0.0138 0.0138
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Brugia malayi hypothetical protein 0.0017 0.0055 0.0055
Trypanosoma brucei C-8 sterol isomerase, putative 0.0727 0.6057 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0438 0.0438
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0037 0.0225 0.0225
Schistosoma mansoni hypothetical protein 0.0107 0.0816 0.0816
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.0934 0.0934
Schistosoma mansoni nAChR subunit 0.0012 0.002 0.002
Onchocerca volvulus 0.0026 0.0138 0.0841
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0012 0.002 0.002
Schistosoma mansoni opsin-like receptor 0.0026 0.0138 0.0138
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus allatostatin A receptor 0.0026 0.0138 0.0138
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0161 0.1273 0.1273
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0012 0.002 0.002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Echinococcus multilocularis somatostatin receptor 0.0026 0.0138 0.0138
Brugia malayi Tachykinin-like peptides receptor 99D 0.0026 0.0138 0.0138
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0026 0.0138 0.0138
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0012 0.002 0.002
Onchocerca volvulus Putative nachr subunit 0.0012 0.002 0.0125
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0012 0.002 0.002
Echinococcus granulosus nAChR subunit 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Echinococcus granulosus g-protein coupled receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0285 0.2322 0.2322
Schistosoma mansoni biogenic amine receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis neuropeptide Y receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) neuropeptide F receptor 0.0026 0.0138 0.0138
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Loa Loa (eye worm) LGC-31 protein 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0037 0.0225 0.0225
Schistosoma mansoni hypothetical protein 0.0071 0.0519 0.0519
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) TYRA-2 protein 0.0026 0.0138 0.0138
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0026 0.0138 0.0138
Echinococcus granulosus hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Loa Loa (eye worm) neuropeptide F receptor 0.0026 0.0138 0.0138
Echinococcus granulosus glycine receptor subunit alpha 1 0.0012 0.002 0.002
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0012 0.002 0.002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0026 0.0138 0.0138
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.002 0.002
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0026 0.0138 0.0138
Echinococcus multilocularis rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis neuropeptides capa receptor 0.0026 0.0138 0.0138
Brugia malayi excitatory GABA receptor EXP-1A 0.0012 0.002 0.002
Schistosoma mansoni adenoreceptor 0.0026 0.0138 0.0138
Schistosoma mansoni amine GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0012 0.002 0.002
Echinococcus granulosus rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0012 0.002 0.0125
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0313 0.0313
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0313 0.0313
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0012 0.002 0.002
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.0519 0.0519
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0934 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus dro:myosuppressin receptor 0.0026 0.0138 0.0138
Echinococcus granulosus g protein coupled receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0121 0.0934 0.0934
Onchocerca volvulus 0.0026 0.0138 0.0841
Brugia malayi sulfakinin receptor protein 0.0026 0.0138 0.0138
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0012 0.002 0.002
Onchocerca volvulus 0.0026 0.0138 0.0841
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0026 0.0138 0.0841
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0012 0.0012
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.1194 1 1
Echinococcus granulosus serotonin receptor 0.0026 0.0138 0.0138
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.002 0.002
Onchocerca volvulus 0.0026 0.0138 0.0841
Echinococcus multilocularis orexin receptor type 2 0.0026 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0012 0.002 0.002
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0012 0.002 0.002
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0026 0.0138 0.0138
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0332 0.0332
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0026 0.0138 0.0138
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0026 0.0138 0.0138
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0161 0.1273 0.1273
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis glycine receptor subunit beta 0.0012 0.002 0.002
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0012 0.002 0.002
Brugia malayi neuropeptide F receptor 0.0026 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0049 0.0332 0.0332
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0026 0.0138 0.0138
Echinococcus granulosus tar DNA binding protein 0.0072 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0161 0.1273 0.1273
Echinococcus multilocularis transient receptor potential gamma protein 0.0099 0.0747 0.0747
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni neuropeptide F-like receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus granulosus biogenic amine 5HT receptor 0.0267 0.2169 0.2169
Loa Loa (eye worm) hypothetical protein 0.0107 0.0816 0.0816
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0026 0.0138 0.0138
Echinococcus granulosus sex peptide receptor 0.0026 0.0138 0.0138
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0026 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0012 0.002 0.0125
Schistosoma mansoni hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis neuropeptide receptor 0.0026 0.0138 0.0138
Echinococcus granulosus glycine receptor subunit beta 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) melatonin receptor type 1A 0.0026 0.0138 0.0138
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0332 0.0332
Schistosoma mansoni amine GPCR 0.0026 0.0138 0.0138
Echinococcus multilocularis rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Echinococcus granulosus 7TM GPCR rhodopsin 0.0026 0.0138 0.0138
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.002 0.002
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0012 0.002 0.002
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0012 0.002 0.002
Echinococcus granulosus g protein coupled receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0161 0.1273 0.1273
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0012 0.002 0.0125
Schistosoma mansoni biogenic amine receptor 0.0026 0.0138 0.0138
Echinococcus granulosus rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus inhibitor of apoptosis protein 0.0161 0.1273 0.1273
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0012 0.002 0.002
Brugia malayi Dopamine receptor protein 1 0.0026 0.0138 0.0138
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0026 0.0138 0.0138
Echinococcus granulosus glycine receptor subunit beta 0.0012 0.002 0.002
Brugia malayi neuropeptide F receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0313 0.0313
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0012 0.002 0.002
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.0465 0.0465
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0026 0.0138 0.0138
Brugia malayi G protein-coupled receptor F59B2.13 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0026 0.0138 0.0138
Echinococcus granulosus rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus glycine receptor subunit alpha 1 0.0012 0.002 0.002
Echinococcus multilocularis neuropeptide FF receptor 2 0.0026 0.0138 0.0138
Echinococcus granulosus neuropeptide FF receptor 2 0.0026 0.0138 0.0138
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0012 0.0012
Brugia malayi G-protein coupled receptor 0.0026 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0156 0.1232 0.1232
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0121 0.0934 0.5
Brugia malayi hypothetical protein 0.0026 0.0131 0.0131
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0332 0.0332
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0012 0.002 0.002
Echinococcus multilocularis neuropeptide s receptor 0.0026 0.0138 0.0138
Brugia malayi RNA binding protein 0.0072 0.0519 0.0519
Echinococcus granulosus neuropeptide receptor A26 0.0026 0.0138 0.0138
Schistosoma mansoni transient receptor potential channel 0.0065 0.0465 0.0465
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0026 0.0138 0.0138
Echinococcus granulosus fmrfamide receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0012 0.002 0.002
Echinococcus multilocularis fmrfamide receptor 0.0026 0.0138 0.0138
Schistosoma mansoni serine/threonine protein kinase 0.1194 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Echinococcus granulosus serine:threonine protein kinase TAO1 0.1194 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0026 0.0138 0.0138
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0012 0.002 0.002
Echinococcus granulosus somatostatin receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0033 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi Calcitonin receptor-like protein seb-1 0.0156 0.1232 0.1232
Echinococcus multilocularis inhibitor of apoptosis protein 0.0161 0.1273 0.1273
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0121 0.0934 0.1355
Schistosoma mansoni hypothetical protein 0.0049 0.0332 0.0332
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Echinococcus multilocularis neuropeptide receptor A26 0.0026 0.0138 0.0138
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.002 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0313 0.0313
Brugia malayi N-terminal motif family protein 0.0204 0.1637 0.1637
Loa Loa (eye worm) hypothetical protein 0.0267 0.2169 0.2169
Echinococcus multilocularis allatostatin A receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Schistosoma mansoni biogenic amine receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0026 0.0138 0.0841
Echinococcus multilocularis sex peptide receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis G-protein coupled receptor, putative 0.0026 0.0138 0.0138
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0131 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Onchocerca volvulus Deterin homolog 0.0161 0.1273 0.7778
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0156 0.1232 0.1232
Schistosoma mansoni hypothetical protein 0.0161 0.1273 0.1273
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0012 0.002 0.002
Onchocerca volvulus 0.0026 0.0138 0.0841
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0727 0.6057 1
Onchocerca volvulus 0.0026 0.0138 0.0841
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0519 0.0519
Schistosoma mansoni amine GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus GPCR family 2 0.0049 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0121 0.0934 0.0934
Echinococcus granulosus short transient receptor potential channel 6 0.0065 0.0465 0.0465
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi Transient-receptor-potential like protein 0.0037 0.0225 0.0225
Onchocerca volvulus 0.0026 0.0138 0.0841
Echinococcus granulosus alpha 1A adrenergic receptor 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0026 0.0138 0.0841
Onchocerca volvulus 0.0012 0.002 0.0125
Echinococcus multilocularis g-protein coupled receptor 0.0026 0.0138 0.0138
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0519 0.0519
Echinococcus multilocularis serotonin receptor 0.0267 0.2169 0.2169
Echinococcus granulosus G protein coupled receptor 139 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis neuropeptides capa receptor 0.0026 0.0138 0.0138
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0313 0.0313
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0012 0.002 0.002
Echinococcus granulosus neuropeptide Y receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) RNA binding protein 0.0072 0.0519 0.0519
Brugia malayi AKH receptor 0.0026 0.0138 0.0138
Schistosoma mansoni opsin-like receptor 0.0026 0.0138 0.0138
Brugia malayi GnHR receptor homolog 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi putative neuropeptide receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis fmrfamide receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) ACC-1 protein 0.0012 0.002 0.002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0313 0.0313
Schistosoma mansoni nAChR subunit 0.0012 0.002 0.002
Entamoeba histolytica hypothetical protein 0.0071 0.0519 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0026 0.0138 0.0138
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0026 0.0138 0.0138
Toxoplasma gondii aldehyde dehydrogenase 0.0121 0.0934 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0131 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0372 0.3055 0.3055
Schistosoma mansoni hypothetical protein 0.0049 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Brugia malayi larval opioid receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0204 0.1637 0.1637
Echinococcus multilocularis short transient receptor potential channel 6 0.0065 0.0465 0.0465
Echinococcus multilocularis rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0012 0.002 0.002
Echinococcus granulosus neuropeptide receptor 0.0026 0.0138 0.0138
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0161 0.1273 0.1273
Echinococcus granulosus orexin receptor type 2 0.0026 0.0138 0.0138
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Loa Loa (eye worm) G-protein coupled receptor 0.0026 0.0138 0.0138
Echinococcus granulosus biogenic amine 5HT receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0099 0.0747 0.0747
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0313 0.0313
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0519 0.0519
Onchocerca volvulus 0.0012 0.002 0.0125
Echinococcus granulosus rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0012 0.002 0.002
Onchocerca volvulus 0.0026 0.0138 0.0841
Brugia malayi Serotonin receptor 0.0935 0.7812 0.7812
Onchocerca volvulus 0.0026 0.0138 0.0841
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0012 0.002 0.002
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0026 0.0138 0.0138
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0519 0.0519
Schistosoma mansoni histamine h1 receptor 0.0026 0.0138 0.0138
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0131 0.1405
Brugia malayi Cation transporter family protein 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni biogenic amine (5HT) receptor 0.0267 0.2169 0.2169
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0071 0.0519 0.0519
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0519 0.0519
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0012 0.002 0.002
Echinococcus multilocularis glycine receptor subunit beta 0.0012 0.002 0.002
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0012 0.002 0.002
Echinococcus multilocularis g protein coupled receptor 0.0026 0.0138 0.0138
Brugia malayi latrophilin 2 splice variant baaae 0.0107 0.0816 0.0816
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0727 0.6057 0.6057
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0332 0.0332
Echinococcus granulosus glycine receptor subunit alpha 1 0.0012 0.002 0.002
Echinococcus granulosus neuropeptide s receptor 0.0026 0.0138 0.0138
Echinococcus granulosus rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus tm gpcr rhodopsin 0.0026 0.0138 0.0138
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0026 0.0138 0.0841
Echinococcus granulosus neuropeptide Y receptor 0.0026 0.0138 0.0138
Brugia malayi G protein-coupled receptor 0.0026 0.0138 0.0138
Echinococcus granulosus transient receptor potential ion channel A 0.0095 0.0719 0.0719
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0012 0.002 0.002
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus granulosus peptide allatostatin:somatostatin 0.0026 0.0138 0.0138
Echinococcus multilocularis G protein coupled receptor 139 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0131 0.0131
Leishmania major C-8 sterol isomerase-like protein 0.0727 0.6057 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0026 0.0138 0.0138
Brugia malayi follicle stimulating hormone receptor 0.0026 0.0138 0.0138
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0131 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0026 0.0138 0.0138
Brugia malayi putative neuropeptide receptor NPR1 0.0026 0.0138 0.0138
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0204 0.1637 1
Schistosoma mansoni amine GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus tm gpcr rhodopsin 0.0026 0.0138 0.0138
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.0519 0.0519
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0012 0.002 0.002
Echinococcus granulosus g protein coupled receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis transient receptor potential ion channel A 0.0095 0.0719 0.0719
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi Serotonin receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0727 0.6057 0.6057
Loa Loa (eye worm) hypothetical protein 0.0267 0.2169 0.2169
Schistosoma mansoni inhibitor of apoptosis protein 0.0161 0.1273 0.1273
Schistosoma mansoni transient receptor potential channel 4 0.0099 0.0747 0.0747
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0313 0.0313
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0012 0.002 0.002
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0012 0.002 0.002
Echinococcus multilocularis tar DNA binding protein 0.0072 0.0519 0.0519
Schistosoma mansoni amine GPCR 0.0026 0.0138 0.0138
Echinococcus granulosus TRP transient receptor potential channel 0.0037 0.0225 0.0225
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0934 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) G-protein coupled receptor 0.0026 0.0138 0.0138
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni neuropeptide F-like receptor 0.0026 0.0138 0.0138
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0026 0.0138 0.0138
Loa Loa (eye worm) ACC-1 protein 0.0012 0.002 0.002
Schistosoma mansoni neuropeptide receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0026 0.0138 0.0138
Echinococcus granulosus tachykinin peptides receptor 99D 0.0026 0.0138 0.0138
Echinococcus multilocularis GPCR, family 2 0.0049 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0049 0.0332 0.0332
Entamoeba histolytica hypothetical protein 0.0071 0.0519 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0026 0.0138 0.0841
Schistosoma mansoni tar DNA-binding protein 0.0072 0.0519 0.0519
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0332 0.0332
Schistosoma mansoni aldehyde dehydrogenase 0.0121 0.0934 0.0934
Brugia malayi TAR-binding protein 0.0072 0.0519 0.0519
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0156 0.1232 0.1232
Echinococcus granulosus transient receptor potential gamma protein 0.0099 0.0747 0.0747
Mycobacterium ulcerans aldehyde dehydrogenase 0.0121 0.0934 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0049 0.0332 0.0332
Onchocerca volvulus 0.0161 0.1273 0.7778
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi G-protein coupled receptor 0.0026 0.0138 0.0138
Echinococcus granulosus neuropeptide receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Onchocerca volvulus 0.0026 0.0138 0.0841
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0026 0.0138 0.0138
Brugia malayi RE15519p 0.0026 0.0138 0.0138
Schistosoma mansoni alpha-1 adrenergic receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) TAR-binding protein 0.0072 0.0519 0.0519
Schistosoma mansoni neuropeptide receptor 0.0026 0.0138 0.0138
Schistosoma mansoni hypothetical protein 0.0011 0.0012 0.0012
Brugia malayi Melatonin receptor type 1A 0.0026 0.0138 0.0138
Entamoeba histolytica hypothetical protein 0.0071 0.0519 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0026 0.0138 0.0138
Schistosoma mansoni neuropeptide receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni biogenic amine (5HT) receptor 0.0026 0.0138 0.0138
Brugia malayi Cation transporter family protein 0.0012 0.002 0.002
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0026 0.0138 0.0138
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0026 0.0138 0.0138
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0026 0.0138 0.0138
Schistosoma mansoni nAChR subunit 0.0012 0.002 0.002
Schistosoma mansoni transient receptor potential channel 0.0099 0.0747 0.0747
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0012 0.002 0.002
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0519 0.0519
Onchocerca volvulus 0.0026 0.0138 0.0841
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0012 0.002 0.002
Echinococcus granulosus 7tm_1 domain containing protein 0.0026 0.0138 0.0138
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0161 0.1273 0.1273
Onchocerca volvulus 0.0026 0.0138 0.0841
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis g protein coupled receptor 0.0026 0.0138 0.0138
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis dro:myosuppressin receptor 0.0026 0.0138 0.0138
Echinococcus granulosus neuropeptides capa receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis serotonin receptor 0.0267 0.2169 0.2169
Schistosoma mansoni hypothetical protein 0.0026 0.0138 0.0138
Schistosoma mansoni neuropeptide receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0012 0.002 0.002
Brugia malayi Dopamine receptor protein 2 0.0026 0.0138 0.0138
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0012 0.002 0.002
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0012 0.002 0.002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0026 0.0138 0.0138
Echinococcus multilocularis g protein coupled receptor 0.0026 0.0138 0.0138
Echinococcus multilocularis nAChR subunit 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis neuropeptide receptor 0.0026 0.0138 0.0138
Onchocerca volvulus Neuropeptide F receptor homolog 0.0026 0.0138 0.0841
Schistosoma mansoni myosin xvIII 0.0026 0.0138 0.0138
Brugia malayi Dopamine receptor 0.0026 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0012 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0012 0.002 0.002
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.1194 1 1
Schistosoma mansoni transient receptor potential channel 0.0065 0.0465 0.0465
Entamoeba histolytica hypothetical protein 0.0071 0.0519 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0138
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0012 0.002 0.002
Brugia malayi Serine/threonine-protein kinase SULU 0.1194 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0026 0.0138 0.0138
Onchocerca volvulus 0.0026 0.0138 0.0841

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 2806 ng ml-1 hr-1 Pharmacokinetic characterization measured on oral blood levels in rat at 10 mg/kg (0-6 hr) ChEMBL. 11585438
IC50 (functional) = 2 nM Inhibition of the entry of HIV-1 reporter virus (ADA) into U-87 cells ChEMBL. 11585438
IC50 (functional) = 2 nM Inhibition of the entry of HIV-1 reporter virus (ADA) into U-87 cells ChEMBL. 11585438
Ki (binding) = 7 nM Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5) ChEMBL. 14521412
Ki (binding) = 7 nM Inhibition of RANTES binding to the human C-C chemokine receptor type 5 (CCR5) ChEMBL. 14521412
Ki (binding) = 12 nM Binding affinity towards C-C chemokine receptor type 5 ChEMBL. 11585438
Ki (binding) = 12 nM Binding affinity towards C-C chemokine receptor type 5 ChEMBL. 11585438

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11585438

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

2 literature references were collected for this gene.

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