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Ligand

NameCHEMBL3262652
Molecular formulaC20H18ClF3N6O
IUPAC nameN-[7-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-2,2,2-trifluoroacetamide
Molecular weight450.85
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50013273
N-(7-(5'-chloro-3,5-dimethyl-2,4'-bipyridin-2'-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl)-2,2,2-trifluoroacetamide
SCHEMBL15882072
AFXGOPWFLDYHAG-UHFFFAOYSA-N
Inchi KeyAFXGOPWFLDYHAG-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18ClF3N6O/c1-11-5-12(2)18(26-7-11)13-6-16(25-8-14(13)21)30-4-3-29-9-15(27-17(29)10-30)28-19(31)20(22,23)24/h5-9H,3-4,10H2,1-2H3,(H,28,31)
PubChem CID90286184
ChEMBLCHEMBL3262652
IUPHARN/A
BindingDB50013273
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4587Smoothened homologQ99835SMOHomo sapiens (Human)787

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