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Ligand

NameCHEMBL1765270
Molecular formulaC24H28N2O2
IUPAC name[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(6-cyclopropylpyridin-3-yl)methanone
Molecular weight376.5
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50341945
cis-rac-(6-cyclopropylpyridin-3-yl)((4S,4aR,8aS)-4-hydroxy-4-phenyloctahydroquinolin-1(2H)-yl)methanone
Inchi KeyAEJSWYYMIDGUTI-JCTONOIOSA-N
Inchi IDInChI=1S/C24H28N2O2/c27-23(18-12-13-21(25-16-18)17-10-11-17)26-15-14-24(28,19-6-2-1-3-7-19)20-8-4-5-9-22(20)26/h1-3,6-7,12-13,16-17,20,22,28H,4-5,8-11,14-15H2/t20-,22+,24-/m1/s1
PubChem CID54585148
ChEMBLCHEMBL1765270
IUPHARN/A
BindingDB50341945
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3544Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
3543Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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