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Ligand

NameCHEMBL93961
Molecular formulaC31H40ClN3O3
IUPAC namemethyl N-[1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
Molecular weight538.129
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.1
Synonymsmethyl N-[1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-(cyclopentylmethyl)carbamate
Carbamic acid, [1-[[(3S,4S)-1-(2-chlorobenzoyl)-4-phenyl-3-pyrrolidinyl]methyl]-4-piperidinyl](cyclopentylmethyl)-, methyl ester
CTK6J2782
AC1LAKMK
methyl(1-{[(3s,4s)-1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]methyl}piperidin-4-yl)(cyclopentylmethyl)carbamate
[ Show all ]
Inchi KeyAYBYDZGKZJGCDX-LBNVMWSVSA-N
Inchi IDInChI=1S/C31H40ClN3O3/c1-38-31(37)35(19-23-9-5-6-10-23)26-15-17-33(18-16-26)20-25-21-34(22-28(25)24-11-3-2-4-12-24)30(36)27-13-7-8-14-29(27)32/h2-4,7-8,11-14,23,25-26,28H,5-6,9-10,15-22H2,1H3/t25-,28+/m0/s1
PubChem CID490008
ChEMBLCHEMBL93961
IUPHARN/A
BindingDB50105506
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
17306C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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