| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4552481
Max Phase: Preclinical
Molecular Formula: C17H20N2O5S
Molecular Weight: 364.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C(=O)CNC(=O)c1cc2ccccc2o1)C1CCS(=O)(=O)CC1
Standard InChI: InChI=1S/C17H20N2O5S/c1-19(13-6-8-25(22,23)9-7-13)16(20)11-18-17(21)15-10-12-4-2-3-5-14(12)24-15/h2-5,10,13H,6-9,11H2,1H3,(H,18,21)
Standard InChI Key: ONLHQOPIRBJQPJ-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: 364.42 | Molecular Weight (Monoisotopic): 364.1093 | AlogP: 1.20 | #Rotatable Bonds: 4 |
| Polar Surface Area: 96.69 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.00 | CX Basic pKa: | CX LogP: -0.91 | CX LogD: -0.91 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.88 | Np Likeness Score: -1.74 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):