| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4461126
Max Phase: Preclinical
Molecular Formula: C16H20N2O4S
Molecular Weight: 336.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C(=O)CNC(=O)/C=C/c1ccccc1)C1CCS(=O)(=O)C1
Standard InChI: InChI=1S/C16H20N2O4S/c1-18(14-9-10-23(21,22)12-14)16(20)11-17-15(19)8-7-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3,(H,17,19)/b8-7+
Standard InChI Key: UTZJEEJWEXIAEJ-BQYQJAHWSA-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: 336.41 | Molecular Weight (Monoisotopic): 336.1144 | AlogP: 0.46 | #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: 13.56 | CX Basic pKa: | CX LogP: -0.55 | CX LogD: -0.55 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.79 | Np Likeness Score: -1.57 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):