CVT-10216 0.1μM R06 exp278
Mechanism of Action
Inhibits mitochondrial aldehyde dehydrogenase (ALDH2), main enzyme for oxidative alcohol metabolism
- Class / Subclass 1: Metabolism / Metabolic Enzyme Inhibitor
Technical Notes
Compound References
- PubChem Name: 3-(((3-(4-((Methylsulfonyl)amino)phenyl)-4-oxo-4H-chromen-7-yl)oxy)methyl)benzoic acid
- Synonyms: N/A
- CAS #: 1005334-57-5
- PubChem CID: 23661666
- IUPAC: 3-[[3-[4-(methanesulfonamido)phenyl]-4-oxochromen-7-yl]oxymethyl]benzoic acid
- INCHI Name: InChI=1S/C24H19NO7S/c1-33(29,30)25-18-7-5-16(6-8-18)21-14-32-22-12-19(9-10-20(22)23(21)26)31-13-15-3-2-4-17(11-15)24(27)28/h2-12,14,25H,13H2,1H3,(H,27,28)
- INCHI Key: YYOOFJZTRCPVFD-UHFFFAOYSA-N
- Molecular Weight: 465.5
- Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC4=CC(=CC=C4)C(=O)O
- Isomeric SMILES: N/A
- Molecular Formula: C24H19NO7S
Compound Supplier
- Supplier Name: Sigma-Aldrich
- Catalog #: SML1366
- Lot #: N/A
Compound Characterization
- HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C24H19NO7S 466.0955; found 466.0966
Dose Response Curve
- Platform ID: CVT-10216
- Min: -2.3464; Max: 12.4545
| IC | Concentration (µM) |
|---|---|
| IC10 | N/A |
| IC20 | N/A |
| IC30 | N/A |
| IC40 | N/A |
| IC50 | N/A |
| IC60 | N/A |
| IC70 | N/A |
| IC80 | N/A |
| IC90 | N/A |
Screen Summary
- Round: 06
- Dose: 100nM
- Days of incubation: 8
- Doublings: 7.7
- Numbers of reads: 7851599
Screen Results
| Sensitive/Resistant hits (FDR<0.05) | CRANKS | Score Plot | Top 30 Genes | Screen Similarity | Top 30 Sensitive GO terms | Top 30 Resistant GO terms |
|---|---|---|---|---|---|---|
| 1/0 | Scores |
CVT-10216 0.1μM R06 exp278
