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Ligand

NameCHEMBL496604
Molecular formulaC25H21ClN6
IUPAC name6-[4-[4-[(4-chlorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular weight440.935
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50268494
SCHEMBL3602622
6-{4-[4-(4-Chlorobenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile
Inchi KeyHZYOJTRPVYPKHR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H21ClN6/c26-20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(30-29-23)32-13-11-31(12-14-32)24-10-7-19(16-27)17-28-24/h1-10,17H,11-15H2
PubChem CID44186430
ChEMBLCHEMBL496604
IUPHARN/A
BindingDB50268494
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
128148Smoothened homologP56726SmoMus musculus (Mouse)793
128149Smoothened homologQ99835SMOHomo sapiens (Human)787

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