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Ligand

NameCHEMBL3696810
Molecular formulaC20H26ClFN4O3S
IUPAC nameN-[1-[5-chloro-4-(5-fluoro-3-methylpyridin-2-yl)pyridin-2-yl]piperidin-4-yl]-2-hydroxy-2-methylpropane-1-sulfonamide
Molecular weight456.961
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM163026
SCHEMBL15169345
US9056865, A-153
Inchi KeyAWJHRWCVUAAGRU-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H26ClFN4O3S/c1-13-8-14(22)10-24-19(13)16-9-18(23-11-17(16)21)26-6-4-15(5-7-26)25-30(28,29)12-20(2,3)27/h8-11,15,25,27H,4-7,12H2,1-3H3
PubChem CID89736080
ChEMBLCHEMBL3696810
IUPHARN/A
BindingDB163026
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
459354Smoothened homologQ99835SMOHomo sapiens (Human)787

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