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Ligand

NameCHEMBL1209455
Molecular formulaC26H22F3N5O
IUPAC name[(3R)-3-methyl-4-[1-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]piperazin-1-yl]-phenylmethanone
Molecular weight477.491
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.4
SynonymsSCHEMBL3646034
ASPCZWIUJMXPKZ-QGZVFWFLSA-N
(R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
BDBM50323147
Inchi KeyASPCZWIUJMXPKZ-QGZVFWFLSA-N
Inchi IDInChI=1S/C26H22F3N5O/c1-17-16-33(25(35)19-5-3-2-4-6-19)13-14-34(17)24-22-15-30-12-11-21(22)23(31-32-24)18-7-9-20(10-8-18)26(27,28)29/h2-12,15,17H,13-14,16H2,1H3/t17-/m1/s1
PubChem CID25226761
ChEMBLCHEMBL1209455
IUPHARN/A
BindingDB50323147
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
13402Smoothened homologP56726SmoMus musculus (Mouse)793
13403Smoothened homologQ99835SMOHomo sapiens (Human)787

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