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Ligand

NameCHEMBL331238
Molecular formulaC14H16ClN3O12P2S
IUPAC name4-chloro-3-[[5-hydroxy-6-methyl-3,4-bis(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzenesulfonic acid
Molecular weight547.749
Hydrogen bond acceptor15
Hydrogen bond donor6
XlogP-1.6
Synonyms4-Chloro-3-[3,4-bis(phosphonooxymethyl)-5-hydroxy-6-methyl-2-pyridylazo]benzenesulfonic acid
4-Chloro-3-(5-hydroxy-6-methyl-3,4-bis-phosphonooxymethyl-pyridin-2-ylazo)-benzenesulfonic acid
BDBM50102303
Inchi KeyIANSGZBOXIJPDE-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16ClN3O12P2S/c1-7-13(19)9(5-29-31(20,21)22)10(6-30-32(23,24)25)14(16-7)18-17-12-4-8(33(26,27)28)2-3-11(12)15/h2-4,19H,5-6H2,1H3,(H2,20,21,22)(H2,23,24,25)(H,26,27,28)
PubChem CID135528154
ChEMBLN/A
IUPHARN/A
BindingDB50102303
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
561281P2Y purinoceptor 1P49652P2RY1Meleagris gallopavo (Wild turkey)362

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