| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4550696
Max Phase: Preclinical
Molecular Formula: C17H22N2O5S
Molecular Weight: 366.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C=C/C(=O)NCC(=O)N(C)C2CCS(=O)(=O)C2)cc1
Standard InChI: InChI=1S/C17H22N2O5S/c1-19(14-9-10-25(22,23)12-14)17(21)11-18-16(20)8-5-13-3-6-15(24-2)7-4-13/h3-8,14H,9-12H2,1-2H3,(H,18,20)/b8-5+
Standard InChI Key: RYCRNCGPLRMPGA-VMPITWQZSA-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: 366.44 | Molecular Weight (Monoisotopic): 366.1249 | AlogP: 0.47 | #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: 13.41 | CX Basic pKa: | CX LogP: -0.71 | CX LogD: -0.71 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.74 | Np Likeness Score: -1.45 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):