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Ligand

NameCHEMBL378744
Molecular formulaC23H24ClNO5S
IUPAC name2-[4-[(4-chlorophenyl)methyl]-5-(1-hydroxyethyl)-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid
Molecular weight461.957
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
Synonyms2-(4-(4-chlorobenzyl)-5-(1-hydroxyethyl)-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid
BDBM50184234
SCHEMBL7737518
Inchi KeyACIAOTYWHUSEBZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClNO5S/c1-13(26)19-10-17(31(2,29)30)11-20-18-8-5-15(9-21(27)28)22(18)25(23(19)20)12-14-3-6-16(24)7-4-14/h3-4,6-7,10-11,13,15,26H,5,8-9,12H2,1-2H3,(H,27,28)
PubChem CID22083972
ChEMBLCHEMBL378744
IUPHARN/A
BindingDB50184234
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
1599Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
1600Thromboxane A2 receptorP21731TBXA2RHomo sapiens (Human)343

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