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Ligand

NameCHEMBL3963024
Molecular formulaC30H41N3O2
IUPAC nameN-cyclohexyl-1-[[3-[(3-methyl-2-phenylbutanoyl)amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight475.677
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM243611
US9428456, 1.036
Inchi KeyBWXVZHHYROKFSK-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H41N3O2/c1-22(2)28(24-11-5-3-6-12-24)30(35)32-27-15-9-10-23(20-27)21-33-18-16-25(17-19-33)29(34)31-26-13-7-4-8-14-26/h3,5-6,9-12,15,20,22,25-26,28H,4,7-8,13-14,16-19,21H2,1-2H3,(H,31,34)(H,32,35)
PubChem CID129626020
ChEMBLCHEMBL3963024
IUPHARN/A
BindingDB243611
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
536889Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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