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Ligand

NameCHEMBL3696789
Molecular formulaC20H25ClN4O2
IUPAC nameN-[1-(5-chloro-6-pyridin-2-ylpyridin-2-yl)piperidin-4-yl]-3-hydroxy-3-methylbutanamide
Molecular weight388.896
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsUS9056865, A-131
BDBM163004
SCHEMBL15169550
Inchi KeyBDNRABUDGIZFHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25ClN4O2/c1-20(2,27)13-18(26)23-14-8-11-25(12-9-14)17-7-6-15(21)19(24-17)16-5-3-4-10-22-16/h3-7,10,14,27H,8-9,11-13H2,1-2H3,(H,23,26)
PubChem CID89736231
ChEMBLCHEMBL3696789
IUPHARN/A
BindingDB163004
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
459403Smoothened homologQ99835SMOHomo sapiens (Human)787

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