| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4536846
Max Phase: Preclinical
Molecular Formula: C18H21N3O4S
Molecular Weight: 375.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C(=O)CNC(=O)c1ccc2ccccc2n1)C1CCS(=O)(=O)CC1
Standard InChI: InChI=1S/C18H21N3O4S/c1-21(14-8-10-26(24,25)11-9-14)17(22)12-19-18(23)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,14H,8-12H2,1H3,(H,19,23)
Standard InChI Key: LISTXHOYNHZSHY-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: 375.45 | Molecular Weight (Monoisotopic): 375.1253 | AlogP: 1.00 | #Rotatable Bonds: 4 |
| Polar Surface Area: 96.44 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.52 | CX LogP: -0.45 | CX LogD: -0.45 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.86 | Np Likeness Score: -1.80 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):