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Ligand

NameCHEMBL1084047
Molecular formulaC26H23ClN2O3
IUPAC name4-[(1S)-1-[[1-[(3-chlorophenyl)methyl]-2-methylindole-7-carbonyl]amino]ethyl]benzoic acid
Molecular weight446.931
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50319846
SCHEMBL1749325
(S)-4-(1-(1-(3-chlorobenzyl)-2-methyl-1H-indole-7-carboxamido)ethyl)benzoic acid
Inchi KeyBQDKQRRXORHZRW-KRWDZBQOSA-N
Inchi IDInChI=1S/C26H23ClN2O3/c1-16-13-21-6-4-8-23(24(21)29(16)15-18-5-3-7-22(27)14-18)25(30)28-17(2)19-9-11-20(12-10-19)26(31)32/h3-14,17H,15H2,1-2H3,(H,28,30)(H,31,32)/t17-/m0/s1
PubChem CID24765769
ChEMBLCHEMBL1084047
IUPHARN/A
BindingDB50319846
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
30174Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359
30173Prostaglandin E2 receptor EP4 subtypeP35408PTGER4Homo sapiens (Human)488

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