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Ligand

NameCHEMBL3696800
Molecular formulaC18H24N4O2S
IUPAC nameN-[1-[4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperidin-4-yl]methanesulfonamide
Molecular weight360.476
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsUS9056865, A-143
BDBM163016
SCHEMBL15170009
Inchi KeyBZHBKLCVXLRTGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H24N4O2S/c1-13-10-14(2)18(20-12-13)15-4-7-19-17(11-15)22-8-5-16(6-9-22)21-25(3,23)24/h4,7,10-12,16,21H,5-6,8-9H2,1-3H3
PubChem CID89736532
ChEMBLCHEMBL3696800
IUPHARN/A
BindingDB163016
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
459542Smoothened homologQ99835SMOHomo sapiens (Human)787

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