| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4560458
Max Phase: Preclinical
Molecular Formula: C16H19ClN2O4S
Molecular Weight: 370.86
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1cccc(Cl)c1)NCCC(=O)NC1CCS(=O)(=O)C1
Standard InChI: InChI=1S/C16H19ClN2O4S/c17-13-3-1-2-12(10-13)4-5-15(20)18-8-6-16(21)19-14-7-9-24(22,23)11-14/h1-5,10,14H,6-9,11H2,(H,18,20)(H,19,21)/b5-4+
Standard InChI Key: CAXOKFQPMYNZMK-SNAWJCMRSA-N
Associated Targets(Human)
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: 370.86 | Molecular Weight (Monoisotopic): 370.0754 | AlogP: 1.16 | #Rotatable Bonds: 6 |
| Polar Surface Area: 92.34 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.07 | CX LogD: 0.07 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.73 | Np Likeness Score: -1.88 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):