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Ligand

NameCHEMBL2391507
Molecular formulaC21H17N3O3
IUPAC name3-[3-[(E)-3-anilino-2-cyano-3-oxoprop-1-enyl]indol-1-yl]propanoic acid
Molecular weight359.385
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50435107
Inchi KeyANWQQIHREGEPPS-NTCAYCPXSA-N
Inchi IDInChI=1S/C21H17N3O3/c22-13-15(21(27)23-17-6-2-1-3-7-17)12-16-14-24(11-10-20(25)26)19-9-5-4-8-18(16)19/h1-9,12,14H,10-11H2,(H,23,27)(H,25,26)/b15-12+
PubChem CID71552007
ChEMBLCHEMBL2391507
IUPHARN/A
BindingDB50435107
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9965Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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