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Ligand

NameCHEMBL498038
Molecular formulaC21H14N3O7S-
IUPAC name1-amino-4-(3-amino-5-carboxyanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight452.417
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50268765
sodium 1-amino-4-(3-amino-5-carboxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Inchi KeyADIFFDVVLPNKRZ-UHFFFAOYSA-M
Inchi IDInChI=1S/C21H15N3O7S/c22-10-5-9(21(27)28)6-11(7-10)24-14-8-15(32(29,30)31)18(23)17-16(14)19(25)12-3-1-2-4-13(12)20(17)26/h1-8,24H,22-23H2,(H,27,28)(H,29,30,31)/p-1
PubChem CID59448167
ChEMBLN/A
IUPHARN/A
BindingDB50268765
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
2338P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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