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Ligand

NameCHEMBL3093605
Molecular formulaC24H22N2O5
IUPAC name2-[1-[4-(oxane-4-carbonylamino)benzoyl]isoquinolin-4-yl]acetic acid
Molecular weight418.449
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM50444225
Inchi KeyAQVQHJCNMSBQON-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N2O5/c27-21(28)13-17-14-25-22(20-4-2-1-3-19(17)20)23(29)15-5-7-18(8-6-15)26-24(30)16-9-11-31-12-10-16/h1-8,14,16H,9-13H2,(H,26,30)(H,27,28)
PubChem CID72736344
ChEMBLCHEMBL3093605
IUPHARN/A
BindingDB50444225
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
12138Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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