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Ligand

NameCHEMBL3955346
Molecular formulaC25H26F3N5
IUPAC name1-[(2-methylphenyl)methyl]-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
Molecular weight453.513
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.2
SynonymsSCHEMBL13491033
Inchi KeyFRZVZDAANFFARF-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26F3N5/c1-17-5-2-3-6-18(17)15-22-20-7-4-8-21(20)24(31-30-22)33-13-11-32(12-14-33)23-10-9-19(16-29-23)25(26,27)28/h2-3,5-6,9-10,16H,4,7-8,11-15H2,1H3
PubChem CID59191577
ChEMBLCHEMBL3955346
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
538125Smoothened homologP56726SmoMus musculus (Mouse)793
538126Smoothened homologQ99835SMOHomo sapiens (Human)787

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