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Ligand

NameCHEMBL461571
Molecular formulaC27H21ClF3NO5
IUPAC name(2R)-2-[3-[[3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]propanoic acid
Molecular weight531.912
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP7.1
Synonyms(2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl]phenoxy]propanoicAcid
BDBM50244809
SCHEMBL2902118
(R)-2-(3-((3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)propanoic acid
Inchi KeyDHUATBAZHILHIC-MRXNPFEDSA-N
Inchi IDInChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1
PubChem CID44190762
ChEMBLCHEMBL461571
IUPHARN/A
BindingDB50244809
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 20
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
603755-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
60370Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
60378Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
60362Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
60372Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
60377D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
60373D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
60371D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
60369Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
60364Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
60365Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
60379Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
60380Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
60368Prostacyclin receptorP43119PTGIRHomo sapiens (Human)386
60361Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
60374Prostaglandin E2 receptor EP3 subtypeP43115PTGER3Homo sapiens (Human)390
60376Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488
60363Prostaglandin F2-alpha receptorP43088PTGFRHomo sapiens (Human)359
60366Substance-K receptorP21452TACR2Homo sapiens (Human)398
60367Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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