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Ligand

NameCHEMBL524284
Molecular formulaC21H12ClN2O7S-
IUPAC name1-amino-4-(2-carboxy-4-chloroanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight471.844
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.7
Synonymssodium 1-amino-4-(2-carboxy-4-chlorophenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
BDBM50268767
Inchi KeyAWDHCCPCIMVLNR-UHFFFAOYSA-M
Inchi IDInChI=1S/C21H13ClN2O7S/c22-9-5-6-13(12(7-9)21(27)28)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)10-3-1-2-4-11(10)20(17)26/h1-8,24H,23H2,(H,27,28)(H,29,30,31)/p-1
PubChem CID59448155
ChEMBLN/A
IUPHARN/A
BindingDB50268767
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
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GLASS IDNameUniProtGeneSpeciesLength
15901P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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