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Ligand

NameCHEMBL1290298
Molecular formulaC23H24FNO4S
IUPAC name2-[(1R)-6-fluoro-8-methylsulfonyl-9-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
Molecular weight429.506
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50331735
SCHEMBL989833
2-((R)-6-fluoro-8-(methylsulfonyl)-9-((S)-1-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetic acid
Inchi KeyAIULETPMIOZKLN-GOEBONIOSA-N
Inchi IDInChI=1S/C23H24FNO4S/c1-14(15-7-4-3-5-8-15)25-22-16(11-21(26)27)9-6-10-18(22)19-12-17(24)13-20(23(19)25)30(2,28)29/h3-5,7-8,12-14,16H,6,9-11H2,1-2H3,(H,26,27)/t14-,16+/m0/s1
PubChem CID52941281
ChEMBLCHEMBL1290298
IUPHARN/A
BindingDB50331735
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
6531Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
6530Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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