| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4466156
Max Phase: Preclinical
Molecular Formula: C17H19F3N2O5S
Molecular Weight: 420.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C(=O)CNC(=O)/C=C/c1ccc(OC(F)(F)F)cc1)C1CCS(=O)(=O)C1
Standard InChI: InChI=1S/C17H19F3N2O5S/c1-22(13-8-9-28(25,26)11-13)16(24)10-21-15(23)7-4-12-2-5-14(6-3-12)27-17(18,19)20/h2-7,13H,8-11H2,1H3,(H,21,23)/b7-4+
Standard InChI Key: ZEIHWPGQMUBMQG-QPJJXVBHSA-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: 420.41 | Molecular Weight (Monoisotopic): 420.0967 | AlogP: 1.36 | #Rotatable Bonds: 6 |
| Polar Surface Area: 92.78 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.87 | CX Basic pKa: | CX LogP: 0.88 | CX LogD: 0.88 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.70 | Np Likeness Score: -1.59 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):