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Ligand

NameCHEMBL402239
Molecular formulaC22H17N2O5S-
IUPAC name1-amino-4-(2,3-dimethylanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight421.447
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
Synonymssodium 1-amino-4-(2,3-dimethylphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
BDBM50336791
Inchi KeyKKWWXCGTSPOABZ-UHFFFAOYSA-M
Inchi IDInChI=1S/C22H18N2O5S/c1-11-6-5-9-15(12(11)2)24-16-10-17(30(27,28)29)20(23)19-18(16)21(25)13-7-3-4-8-14(13)22(19)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)/p-1
PubChem CID91932501
ChEMBLN/A
IUPHARN/A
BindingDB50336791
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
171593P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
171594P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373

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