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Ligand

NameCHEMBL1080735
Molecular formulaC28H24F3N3O2
IUPAC name[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
Molecular weight491.514
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50312780
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(2''-(trifluoromethyl)biphenyl-4-yl)methanone
Inchi KeyCZUGKEKGXKWONC-SFHVURJKSA-N
Inchi IDInChI=1S/C28H24F3N3O2/c1-18-17-33(14-15-34(18)27(36)22-11-8-20-12-13-32-25(20)16-22)26(35)21-9-6-19(7-10-21)23-4-2-3-5-24(23)28(29,30)31/h2-13,16,18,32H,14-15,17H2,1H3/t18-/m0/s1
PubChem CID46880630
ChEMBLCHEMBL1080735
IUPHARN/A
BindingDB50312780
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
546765-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
546825-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
54680Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
54683D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
54684D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
54675Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
54678Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364
54681Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
54679Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
54685Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
54677Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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