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Ligand

NameCHEMBL3692739
Molecular formulaC16H20ClN5O2S
IUPAC nameN-[1-[5-chloro-4-(3-methylpyridin-2-yl)pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide
Molecular weight381.879
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.9
SynonymsUS9056865, A-34
BDBM162907
SCHEMBL15169182
Inchi KeyAAWNCMBIFXAJHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20ClN5O2S/c1-11-4-3-7-18-14(11)15-13(17)10-19-16(20-15)22-8-5-12(6-9-22)21-25(2,23)24/h3-4,7,10,12,21H,5-6,8-9H2,1-2H3
PubChem CID89735961
ChEMBLCHEMBL3692739
IUPHARN/A
BindingDB162907
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
459239Smoothened homologQ99835SMOHomo sapiens (Human)787

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