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Ligand

NameCHEMBL3959587
Molecular formulaC25H29F3N6O
IUPAC name2-[5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
Molecular weight486.543
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL13490988
Inchi KeyCFHZZFYFOKMZNF-OAHLLOKOSA-N
Inchi IDInChI=1S/C25H29F3N6O/c1-15-14-33(10-11-34(15)21-13-29-20(12-30-21)24(4,5)35)23-17(3)16(2)22(31-32-23)18-6-8-19(9-7-18)25(26,27)28/h6-9,12-13,15,35H,10-11,14H2,1-5H3/t15-/m1/s1
PubChem CID59191657
ChEMBLCHEMBL3959587
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
537031Smoothened homologQ99835SMOHomo sapiens (Human)787
537032Smoothened homologP56726SmoMus musculus (Mouse)793

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