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Ligand

NameSCHEMBL2712382
Molecular formulaC21H27ClN4O2
IUPAC name1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
Molecular weight402.923
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.4
SynonymsUS9056865, A-103
CHEMBL3696762
BDBM162976
Inchi KeyAYDWPNRAMSJSLH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27ClN4O2/c1-14-9-15(2)20(24-12-14)16-10-18(23-13-17(16)22)25-5-7-26(8-6-25)19(27)11-21(3,4)28/h9-10,12-13,28H,5-8,11H2,1-4H3
PubChem CID67508115
ChEMBLCHEMBL3696762
IUPHARN/A
BindingDB162976
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
459365Smoothened homologQ99835SMOHomo sapiens (Human)787

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