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Ligand

NameCHEMBL3093599
Molecular formulaC31H22N2O4
IUPAC name2-[1-[4-[(4-phenylbenzoyl)amino]benzoyl]isoquinolin-4-yl]acetic acid
Molecular weight486.527
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50444237
Inchi KeyAHQUTLSTXAUDDC-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H22N2O4/c34-28(35)18-24-19-32-29(27-9-5-4-8-26(24)27)30(36)22-14-16-25(17-15-22)33-31(37)23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-17,19H,18H2,(H,33,37)(H,34,35)
PubChem CID72737018
ChEMBLCHEMBL3093599
IUPHARN/A
BindingDB50444237
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5808Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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