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Ligand

NameCHEMBL3091993
Molecular formulaC24H27FN2O2
IUPAC name[(1R,3aS,7aS)-1-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-methyl-1,3,3a,4,5,6,7,7a-octahydroinden-2-yl] carbamate
Molecular weight394.49
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50443580
Inchi KeyBUPBXZWQINIBSW-QKASLZCDSA-N
Inchi IDInChI=1S/C24H27FN2O2/c1-24(29-23(26)28)14-17-5-2-3-8-21(17)22(24)12-11-20-10-9-18(15-27-20)16-6-4-7-19(25)13-16/h4,6-7,9-13,15,17,21-22H,2-3,5,8,14H2,1H3,(H2,26,28)/b12-11+/t17-,21-,22+,24?/m0/s1
PubChem CID72547556
ChEMBLCHEMBL3091993
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
33244Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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