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Ligand

NameCHEMBL1643784
Molecular formulaC21H19F3N2O4S
IUPAC name2-[(7R)-2,4-difluoro-7-[(4-fluorophenyl)sulfonyl-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular weight452.448
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50333845
(R)-2-(2,4-difluoro-7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
Inchi KeyBPDFPUCEDRYHJW-CQSZACIVSA-N
Inchi IDInChI=1S/C21H19F3N2O4S/c1-25(31(29,30)15-5-2-12(22)3-6-15)14-4-7-19-16(10-20(27)28)17-8-13(23)9-18(24)21(17)26(19)11-14/h2-3,5-6,8-9,14H,4,7,10-11H2,1H3,(H,27,28)/t14-/m1/s1
PubChem CID53323266
ChEMBLCHEMBL1643784
IUPHARN/A
BindingDB50333845
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29424Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
29422Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395
29423Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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