| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4529329
Max Phase: Preclinical
Molecular Formula: C17H25N3O5S
Molecular Weight: 383.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cccc(CNC(=O)NCC(=O)N(C)C2CCS(=O)(=O)CC2)c1
Standard InChI: InChI=1S/C17H25N3O5S/c1-20(14-6-8-26(23,24)9-7-14)16(21)12-19-17(22)18-11-13-4-3-5-15(10-13)25-2/h3-5,10,14H,6-9,11-12H2,1-2H3,(H2,18,19,22)
Standard InChI Key: HWOSDRDTFVBXEJ-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: 383.47 | Molecular Weight (Monoisotopic): 383.1515 | AlogP: 0.53 | #Rotatable Bonds: 6 |
| Polar Surface Area: 104.81 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -1.39 | CX LogD: -1.39 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.75 | Np Likeness Score: -1.89 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):