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Ligand

NameSCHEMBL2714472
Molecular formulaC19H23ClN4O2
IUPAC name1-[4-(5-chloro-6-pyridin-2-ylpyridin-2-yl)piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
Molecular weight374.869
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.7
SynonymsUS9056865, A-90
CHEMBL3696749
BDBM162963
Inchi KeyASWVFCLTLBSMFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23ClN4O2/c1-19(2,26)13-17(25)24-11-9-23(10-12-24)16-7-6-14(20)18(22-16)15-5-3-4-8-21-15/h3-8,26H,9-13H2,1-2H3
PubChem CID67509168
ChEMBLCHEMBL3696749
IUPHARN/A
BindingDB162963
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
459342Smoothened homologQ99835SMOHomo sapiens (Human)787

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