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Ligand

NameCHEMBL366819
Molecular formulaC22H37NO2
IUPAC name(3S,3aR,4R,4aS,8aR,9aS)-3-methyl-4-[3-(2-methylpiperidin-1-yl)propyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight347.543
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.4
Synonyms(3S)-3beta-Methyl-4alpha-[3-(2-methylpiperidino)propyl]-1,3,3abeta,4,4aalpha,5,6,7,8,8abeta,9,9abeta-dodecahydronaphtho[2,3-c]furan-1-one
BDBM50076075
(3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-(2-methyl-piperidin-1-yl)-propyl]-decahydro-naphtho[2,3-c]furan-1-one
Inchi KeyADHSKYZRIOAFEG-SPHRIPSTSA-N
Inchi IDInChI=1S/C22H37NO2/c1-15-8-5-6-12-23(15)13-7-11-19-18-10-4-3-9-17(18)14-20-21(19)16(2)25-22(20)24/h15-21H,3-14H2,1-2H3/t15?,16-,17+,18-,19+,20-,21+/m0/s1
PubChem CID44384258
ChEMBLCHEMBL366819
IUPHARN/A
BindingDB50076075
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2321Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
2322Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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