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Ligand

NameCHEMBL401735
Molecular formulaC21H15N2O6S-
IUPAC name1-amino-4-(4-methoxyanilino)-9,10-dioxoanthracene-2-sulfonate
Molecular weight423.419
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.5
Synonyms1-amino-4-(4-methoxyphenyl)-2-sulfoanthraquinone
1-Amino-4-(4-methoxyphenylamino)-2-sulfonatoanthracene-9,10-dione
BDBM50227023
SB-416
sodium 1-amino-4-(4-methoxyphenylamino)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Inchi KeyMURCBJRRFKMCAT-UHFFFAOYSA-M
Inchi IDInChI=1S/C21H16N2O6S/c1-29-12-8-6-11(7-9-12)23-15-10-16(30(26,27)28)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
PubChem CID59448176
ChEMBLN/A
IUPHARN/A
BindingDB50227023
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
214609P2Y purinoceptor 2P35383P2ry2Mus musculus (Mouse)373
214610P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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