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Ligand

NameCHEMBL93168
Molecular formulaC29H31BrN2O
IUPAC name(2-bromophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
Molecular weight503.484
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP6.1
SynonymsAC1LAKA2
CTK5I8674
BDBM50105553
(+/-)-rel-Piperidine, 1-[[(3S,4S)-1-(2-bromobenzoyl)-4-phenyl-3-pyrrolidinyl]methyl]-4-phenyl-
(2-Bromo-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
[ Show all ]
Inchi KeyABBUEGRTOFDVBQ-AHKZPQOWSA-N
Inchi IDInChI=1S/C29H31BrN2O/c30-28-14-8-7-13-26(28)29(33)32-20-25(27(21-32)24-11-5-2-6-12-24)19-31-17-15-23(16-18-31)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1
PubChem CID489817
ChEMBLCHEMBL93168
IUPHARN/A
BindingDB50105553
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
728C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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