| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4572993
Max Phase: Preclinical
Molecular Formula: C17H22N2O6S
Molecular Weight: 382.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C(=O)CNC(=O)c1cccc2c1OCCO2)C1CCS(=O)(=O)CC1
Standard InChI: InChI=1S/C17H22N2O6S/c1-19(12-5-9-26(22,23)10-6-12)15(20)11-18-17(21)13-3-2-4-14-16(13)25-8-7-24-14/h2-4,12H,5-11H2,1H3,(H,18,21)
Standard InChI Key: SLDHPOVROTVKIG-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: 382.44 | Molecular Weight (Monoisotopic): 382.1199 | AlogP: 0.22 | #Rotatable Bonds: 4 |
| Polar Surface Area: 102.01 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.74 | CX Basic pKa: | CX LogP: -1.48 | CX LogD: -1.48 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.80 | Np Likeness Score: -1.73 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):