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Ligand

NameCHEMBL3931459
Molecular formulaC29H42N4O2
IUPAC nameN-[[(3R,5R)-3-(3-aminopropyl)-1-[(2,6-dimethylcyclohexyl)methyl]-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
Molecular weight478.681
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM232013
US9340517, 401
Inchi KeyALCHGVJBUISZGZ-QHDUBMQXSA-N
Inchi IDInChI=1S/C29H42N4O2/c1-20-7-5-8-21(2)26(20)19-33-16-14-25(32-27(29(33)35)11-6-15-30)18-31-28(34)24-13-12-22-9-3-4-10-23(22)17-24/h3-4,9-10,12-13,17,20-21,25-27,32H,5-8,11,14-16,18-19,30H2,1-2H3,(H,31,34)/t20?,21?,25-,26?,27-/m1/s1
PubChem CID127054206
ChEMBLCHEMBL3931459
IUPHARN/A
BindingDB232013
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533943Melanocortin receptor 5P33032MC5RHomo sapiens (Human)325

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