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Ligand

NameCHEMBL204955
Molecular formulaC24H28N2O2
IUPAC name(3R,3aS,4S,4aR,8aS,9aR)-4-[(E)-2-(6-aminoquinolin-2-yl)ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Molecular weight376.5
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50179562
(+)-(3R,3aS,4S,4aR,8aS,9aR)-4-(2-(6-aminoquinolin-2-yl)vinyl)-3-methyl-decahydronaphtho[2,3-c]furan-1(3H)-one
Inchi KeyBCSXCQXCIPPCRN-AZWBFLDOSA-N
Inchi IDInChI=1S/C24H28N2O2/c1-14-23-20(19-5-3-2-4-15(19)13-21(23)24(27)28-14)10-9-18-8-6-16-12-17(25)7-11-22(16)26-18/h6-12,14-15,19-21,23H,2-5,13,25H2,1H3/b10-9+/t14-,15+,19-,20+,21-,23+/m1/s1
PubChem CID44409232
ChEMBLCHEMBL204955
IUPHARN/A
BindingDB50179562
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
20491Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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