| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3730504
Max Phase: Preclinical
Molecular Formula: C19H12ClN3OS
Molecular Weight: 365.85
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1
Standard InChI: InChI=1S/C19H12ClN3OS/c20-14-5-1-2-6-16(14)22-19-23-18(24)17(25-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b17-11-
Standard InChI Key: FITCFFSJDIRDTL-BOPFTXTBSA-N
Associated Targets(Human)
Dual-specificity tyrosine-phosphorylation regulated kinase 3 1018 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 365.85 | Molecular Weight (Monoisotopic): 365.0390 | AlogP: 4.78 | #Rotatable Bonds: 2 |
| Polar Surface Area: 54.35 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.85 | CX Basic pKa: 4.44 | CX LogP: 4.67 | CX LogD: 4.67 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.66 | Np Likeness Score: -1.82 |
References
| 1. (2010) Chemical compounds, |
Source
Source(1):