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Ligand

NameCHEMBL3962578
Molecular formulaC36H40ClN3O3
IUPAC name6-chloro-N-[[(3R,5R)-2-oxo-1-[(2S)-2-phenylbutyl]-3-(2-phenylmethoxyethyl)-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
Molecular weight598.184
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.8
SynonymsBDBM232123
US9340517, 511
Inchi KeyBILCCFIDWKMOQV-WTWHSOPRSA-N
Inchi IDInChI=1S/C36H40ClN3O3/c1-2-27(28-11-7-4-8-12-28)24-40-19-17-33(39-34(36(40)42)18-20-43-25-26-9-5-3-6-10-26)23-38-35(41)31-14-13-30-22-32(37)16-15-29(30)21-31/h3-16,21-22,27,33-34,39H,2,17-20,23-25H2,1H3,(H,38,41)/t27-,33-,34-/m1/s1
PubChem CID127054311
ChEMBLCHEMBL3962578
IUPHARN/A
BindingDB232123
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
534005Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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