PFI-2 4μM R05 exp239
Mechanism of Action
Inhibits SETD7 lysine methyltransferase (H3K4me)
- Class / Subclass 1: Gene Regulation / Epigenetic Inhibitor
Technical Notes
Compound References
- PubChem Name: 8-Fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochloride
- Synonyms: N/A
- CAS #: 1627607-88-8
- PubChem CID: 91691132
- IUPAC: 8-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide;hydrochloride
- INCHI Name: InChI=1S/C23H25F4N3O3S.ClH/c24-20-13-18(12-16-6-7-28-14-19(16)20)34(32,33)29-21(22(31)30-8-1-2-9-30)11-15-4-3-5-17(10-15)23(25,26)27;/h3-5,10,12-13,21,28-29H,1-2,6-9,11,14H2;1H/t21-;/m0./s1
- INCHI Key: ZADKZNVAJGEFLC-BOXHHOBZSA-N
- Molecular Weight: 536
- Canonical SMILES: C1CCN(C1)C(=O)C(CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F.Cl
- Isomeric SMILES: C1CCN(C1)C(=O)[C@H](CC2=CC(=CC=C2)C(F)(F)F)NS(=O)(=O)C3=CC4=C(CNCC4)C(=C3)F.Cl
- Molecular Formula: C23H26ClF4N3O3S
Compound Supplier
- Supplier Name: Structural Genomics Consortium
- Catalog #: N/A
- Lot #: N/A
Compound Characterization
- HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C23H25F4N3O3S 500.16255; found 500.16424
Dose Response Curve
- Platform ID: PFI2
- Min: -11.2216; Max: 8.6996
| 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: 05
- Dose: 4µM
- Days of incubation: 8
- Doublings: 7.1
- Numbers of reads: 13134382
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 |