SONIDEGIB

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Synonyms
Status
Molecule Category Free-form
ATC L01XJ02
UNII 0RLU3VTK5M

Structure

InChI Key VZZJRYRQSPEMTK-CALCHBBNSA-N
Smiles Cc1c(C(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
InChI
InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H26F3N3O3
Molecular Weight 485.51
AlogP 5.82
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 63.69
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 35.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Frizzled family G protein-coupled receptor Smoothened receptor (frizzled family GPCR)
- - - 6 -
Unclassified protein
- 5.5 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 6 -
Mus musculus
1.2 4.4-22.7 - - -0.2-5.8

Cross References

Resources Reference
ChEBI 90863
ChEMBL CHEMBL2105737
DrugBank DB09143
DrugCentral 5008
FDA SRS 0RLU3VTK5M
Guide to Pharmacology 8199
PubChem 24775005
SureChEMBL SCHEMBL554455
ZINC ZINC000068202099
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