| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4564131
Max Phase: Preclinical
Molecular Formula: C17H19F3N2O4S
Molecular Weight: 404.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C(=O)CNC(=O)/C=C/c1cccc(C(F)(F)F)c1)C1CCS(=O)(=O)C1
Standard InChI: InChI=1S/C17H19F3N2O4S/c1-22(14-7-8-27(25,26)11-14)16(24)10-21-15(23)6-5-12-3-2-4-13(9-12)17(18,19)20/h2-6,9,14H,7-8,10-11H2,1H3,(H,21,23)/b6-5+
Standard InChI Key: IJKNDGHDQWGFBL-AATRIKPKSA-N
Associated Targets(Human)
KLF5 Tchem Kruppel-like factor 5 (178 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 404.41 | Molecular Weight (Monoisotopic): 404.1018 | AlogP: 1.48 | #Rotatable Bonds: 5 |
| Polar Surface Area: 83.55 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.96 | CX Basic pKa: | CX LogP: 0.33 | CX LogD: 0.33 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.75 | Np Likeness Score: -1.80 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):