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Ligand

NameCHEMBL3899187
Molecular formulaC24H24F3N5
IUPAC name1-benzyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
Molecular weight439.486
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.8
SynonymsSCHEMBL13491139
Inchi KeyGYFPNEDYUMLPDL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24F3N5/c25-24(26,27)18-9-10-22(28-16-18)31-11-13-32(14-12-31)23-20-8-4-7-19(20)21(29-30-23)15-17-5-2-1-3-6-17/h1-3,5-6,9-10,16H,4,7-8,11-15H2
PubChem CID59191467
ChEMBLCHEMBL3899187
IUPHARN/A
BindingDBN/A
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
538638Smoothened homologP56726SmoMus musculus (Mouse)793
538639Smoothened homologQ99835SMOHomo sapiens (Human)787

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