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Ligand

NameCHEMBL1082386
Molecular formulaC26H21N5O
IUPAC name3-[4-(4-benzoylpiperazin-1-yl)phthalazin-1-yl]benzonitrile
Molecular weight419.488
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
Synonyms3-(4-(4-benzoylpiperazin-1-yl)phthalazin-1-yl)benzonitrile
BDBM50320351
Inchi KeyAMQWUBPMEUNWCK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H21N5O/c27-18-19-7-6-10-21(17-19)24-22-11-4-5-12-23(22)25(29-28-24)30-13-15-31(16-14-30)26(32)20-8-2-1-3-9-20/h1-12,17H,13-16H2
PubChem CID46891103
ChEMBLCHEMBL1082386
IUPHARN/A
BindingDB50320351
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
9165Smoothened homologQ99835SMOHomo sapiens (Human)787

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