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Ligand

NameCHEMBL208300
Molecular formulaC21H28N4
IUPAC name6-(azepan-1-yl)-2-benzyl-N-cyclopropyl-5-methylpyrimidin-4-amine
Molecular weight336.483
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50181099
6-(azepan-1-yl)-2-benzyl-N-cyclopropyl-5-methylpyrimidin-4-amine
Inchi KeyAJIDPCFITULIMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N4/c1-16-20(22-18-11-12-18)23-19(15-17-9-5-4-6-10-17)24-21(16)25-13-7-2-3-8-14-25/h4-6,9-10,18H,2-3,7-8,11-15H2,1H3,(H,22,23,24)
PubChem CID44409963
ChEMBLCHEMBL208300
IUPHARN/A
BindingDB50181099
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6943Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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