| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4561430
Max Phase: Preclinical
Molecular Formula: C17H24N2O5S
Molecular Weight: 368.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(CC(=O)NCC(=O)N(C)C2CCS(=O)(=O)CC2)cc1
Standard InChI: InChI=1S/C17H24N2O5S/c1-19(14-7-9-25(22,23)10-8-14)17(21)12-18-16(20)11-13-3-5-15(24-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H,18,20)
Standard InChI Key: NJFBAFVTJKXINJ-UHFFFAOYSA-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: 368.46 | Molecular Weight (Monoisotopic): 368.1406 | AlogP: 0.39 | #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: 12.56 | CX Basic pKa: | CX LogP: -1.17 | CX LogD: -1.17 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.78 | Np Likeness Score: -1.62 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):