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Ligand

NameCHEMBL3613133
Molecular formulaC25H19N5O2S2
IUPAC name2-amino-4-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
Molecular weight485.58
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50117104
Inchi KeyAIIYYCLQINCKBH-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H19N5O2S2/c1-31-18-7-3-15(4-8-18)22-20(11-26)23(28)30-25(21(22)12-27)34-14-17-13-33-24(29-17)16-5-9-19(32-2)10-6-16/h3-10,13H,14H2,1-2H3,(H2,28,30)
PubChem CID122188756
ChEMBLCHEMBL3613133
IUPHARN/A
BindingDB50117104
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463628Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326

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