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Ligand

NameCHEMBL3978574
Molecular formulaC31H42Cl2N4O2
IUPAC name3,4-dichloro-N-[[(3R,5R)-3-[2-[(2S)-2-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
SynonymsBDBM232092
US9340517, 480
Inchi KeyAGILIWXVJIFSMA-MLUWVZQDSA-N
Inchi IDInChI=1S/C31H42Cl2N4O2/c1-3-23(24-10-5-4-6-11-24)21-37-17-14-26(20-34-30(38)25-12-13-27(32)28(33)19-25)35-29(31(37)39)15-18-36-16-8-7-9-22(36)2/h4-6,10-13,19,22-23,26,29,35H,3,7-9,14-18,20-21H2,1-2H3,(H,34,38)/t22-,23+,26+,29+/m0/s1
PubChem CID127054282
ChEMBLCHEMBL3978574
IUPHARN/A
BindingDB232092
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
533927Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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