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Ligand

NameCHEMBL402303
Molecular formulaC25H31Cl2N3O
IUPAC name2-(3,4-dichloro-N-methylanilino)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
Molecular weight460.443
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.7
Synonyms1034708-24-1
ZINC29042667
BDBM50239135
Ethanone,2-[(3,4-dichlorophenyl)methylamino]-1-[(2R,3R)-3-phenyl-2-(1-pyrrolidinylmethyl)-1-piperidinyl]-
2-((3,4-dichlorophenyl)(methyl)amino)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
[ Show all ]
Inchi KeyHXWCQEQIPYCSAM-QPPBQGQZSA-N
Inchi IDInChI=1S/C25H31Cl2N3O/c1-28(20-11-12-22(26)23(27)16-20)18-25(31)30-15-7-10-21(19-8-3-2-4-9-19)24(30)17-29-13-5-6-14-29/h2-4,8-9,11-12,16,21,24H,5-7,10,13-15,17-18H2,1H3/t21-,24+/m1/s1
PubChem CID25067046
ChEMBLCHEMBL402303
IUPHARN/A
BindingDB50239135
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
126761Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
126759Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389
126760Urotensin-2 receptorP49684Uts2rRattus norvegicus (Rat)386

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