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Ligand

NameCHEMBL3613140
Molecular formulaC24H16ClN5O2S
IUPAC name2-amino-6-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
Molecular weight473.935
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.2
SynonymsN/A
Inchi KeyACBVSGVPVGOCIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H16ClN5O2S/c1-31-18-8-4-14(5-9-18)21-19(10-26)22(28)30-24(20(21)11-27)33-13-17-12-32-23(29-17)15-2-6-16(25)7-3-15/h2-9,12H,13H2,1H3,(H2,28,30)
PubChem CID122188763
ChEMBLCHEMBL3613140
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
463133Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326

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