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Ligand

NameCHEMBL3696776
Molecular formulaC18H23ClN4O2S
IUPAC name[1-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperidin-4-yl]methanesulfonamide
Molecular weight394.918
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM162991
SCHEMBL15169435
US9056865, A-118
Inchi KeyBOXLEZKOEYHBKG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23ClN4O2S/c1-12-7-13(2)18(22-9-12)15-8-17(21-10-16(15)19)23-5-3-14(4-6-23)11-26(20,24)25/h7-10,14H,3-6,11H2,1-2H3,(H2,20,24,25)
PubChem CID89736149
ChEMBLCHEMBL3696776
IUPHARN/A
BindingDB162991
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
459466Smoothened homologQ99835SMOHomo sapiens (Human)787

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