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Ligand

NameCHEMBL3916441
Molecular formulaC22H22F3N5
IUPAC name4,5-dimethyl-3-phenyl-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine
Molecular weight413.448
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.4
SynonymsSCHEMBL13490966
Inchi KeyDJIDIHUSPOBXQY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22F3N5/c1-15-16(2)21(28-27-20(15)17-6-4-3-5-7-17)30-12-10-29(11-13-30)19-9-8-18(14-26-19)22(23,24)25/h3-9,14H,10-13H2,1-2H3
PubChem CID59191490
ChEMBLCHEMBL3916441
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
537474Smoothened homologP56726SmoMus musculus (Mouse)793
537475Smoothened homologQ99835SMOHomo sapiens (Human)787

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