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Ligand

NameCHEMBL3944504
Molecular formulaC31H42Cl2N4O2
IUPAC name3,4-dichloro-N-[[(3R,5R)-3-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]benzamide
Molecular weight573.603
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM232067
US9340517, 455
US9340517, 471
Inchi KeyAJBIWUGKBUEHLS-YRKKDBSBSA-N
Inchi IDInChI=1S/C31H42Cl2N4O2/c1-3-23(24-7-5-4-6-8-24)21-37-18-13-26(20-34-30(38)25-9-10-27(32)28(33)19-25)35-29(31(37)39)14-17-36-15-11-22(2)12-16-36/h4-10,19,22-23,26,29,35H,3,11-18,20-21H2,1-2H3,(H,34,38)/t23-,26-,29-/m1/s1
PubChem CID127054259
ChEMBLCHEMBL3944504
IUPHARN/A
BindingDB232067
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
533934Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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