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Ligand

NameSCHEMBL4440843
Molecular formulaC16H20ClN5O2S
IUPAC nameN-[1-[5-chloro-4-(5-methylpyridin-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
Molecular weight381.879
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.9
SynonymsUS9056865, A-119
CHEMBL3696777
BDBM162992
Inchi KeyBDNGRZRQJSFVDU-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20ClN5O2S/c1-11-3-4-14(18-9-11)15-13(17)10-19-16(20-15)22-7-5-12(6-8-22)21-25(2,23)24/h3-4,9-10,12,21H,5-8H2,1-2H3
PubChem CID69045593
ChEMBLCHEMBL3696777
IUPHARN/A
BindingDB162992
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
459402Smoothened homologQ99835SMOHomo sapiens (Human)787

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