| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4548956
Max Phase: Preclinical
Molecular Formula: C18H22N4O4S
Molecular Weight: 390.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C(=O)CNC(=O)c1ccnn1-c1ccccc1)C1CCS(=O)(=O)CC1
Standard InChI: InChI=1S/C18H22N4O4S/c1-21(14-8-11-27(25,26)12-9-14)17(23)13-19-18(24)16-7-10-20-22(16)15-5-3-2-4-6-15/h2-7,10,14H,8-9,11-13H2,1H3,(H,19,24)
Standard InChI Key: PJRAPQUKXSJQII-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: 390.46 | Molecular Weight (Monoisotopic): 390.1362 | AlogP: 0.64 | #Rotatable Bonds: 5 |
| Polar Surface Area: 101.37 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.68 | CX LogP: -0.99 | CX LogD: -0.99 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.81 | Np Likeness Score: -2.12 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):