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Ligand

NameCHEMBL3091980
Molecular formulaC24H29FN2O2S
IUPAC nameN-[(1R,3aS,7aS)-1-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl]-N-methylmethanesulfonamide
Molecular weight428.566
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP5.2
SynonymsBDBM50443584
Inchi KeyBRSCNTKXIWSLQX-DKBLXCOBSA-N
Inchi IDInChI=1S/C24H29FN2O2S/c1-27(30(2,28)29)24-15-18-6-3-4-9-22(18)23(24)13-12-21-11-10-19(16-26-21)17-7-5-8-20(25)14-17/h5,7-8,10-14,16,18,22-24H,3-4,6,9,15H2,1-2H3/b13-12+/t18-,22-,23+,24?/m0/s1
PubChem CID72547307
ChEMBLCHEMBL3091980
IUPHARN/A
BindingDB50443584
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
31298Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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