| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4589892
Max Phase: Preclinical
Molecular Formula: C15H14N2OS2
Molecular Weight: 302.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCSC1=C(C#N)C(=O)NC(/C=C/c2ccccc2)S1
Standard InChI: InChI=1S/C15H14N2OS2/c1-2-19-15-12(10-16)14(18)17-13(20-15)9-8-11-6-4-3-5-7-11/h3-9,13H,2H2,1H3,(H,17,18)/b9-8+
Standard InChI Key: JLFUUQFIZBWCBW-CMDGGOBGSA-N
Associated Targets(Human)
GALK1 Tbio Galactokinase (959 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: 302.42 | Molecular Weight (Monoisotopic): 302.0548 | AlogP: 3.38 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.89 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.22 | CX Basic pKa: | CX LogP: 3.60 | CX LogD: 3.60 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.93 | Np Likeness Score: -0.67 |
References
| 1. (2013) Galactokinase inhibitors, |
Source
Source(1):