| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4528989
Max Phase: Preclinical
Molecular Formula: C17H21ClN2O4S
Molecular Weight: 384.89
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@@H](NC(=O)/C=C/c1cccc(Cl)c1)C(=O)N(C)C1CCS(=O)(=O)C1
Standard InChI: InChI=1S/C17H21ClN2O4S/c1-12(17(22)20(2)15-8-9-25(23,24)11-15)19-16(21)7-6-13-4-3-5-14(18)10-13/h3-7,10,12,15H,8-9,11H2,1-2H3,(H,19,21)/b7-6+/t12-,15?/m1/s1
Standard InChI Key: JNDIRDUTPSPPCO-CTGUPZCISA-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: 384.89 | Molecular Weight (Monoisotopic): 384.0911 | AlogP: 1.50 | #Rotatable Bonds: 5 |
| Polar Surface Area: 83.55 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.86 | CX Basic pKa: | CX LogP: 0.62 | CX LogD: 0.62 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.78 | Np Likeness Score: -1.64 |
References
| 1. (2015) Klf5 modulators, |
Source
Source(1):