| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4540846
Max Phase: Preclinical
Molecular Formula: C11H15N3S
Molecular Weight: 221.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCC/C(=N\NC(N)=S)c1ccccc1
Standard InChI: InChI=1S/C11H15N3S/c1-2-6-10(13-14-11(12)15)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H3,12,14,15)/b13-10+
Standard InChI Key: XLFMAYGTDUEOFM-JLHYYAGUSA-N
Associated Targets(non-human)
Tyrosinase 438 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: 221.33 | Molecular Weight (Monoisotopic): 221.0987 | AlogP: 2.02 | #Rotatable Bonds: 4 |
| Polar Surface Area: 50.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.67 | CX Basic pKa: 2.62 | CX LogP: 2.66 | CX LogD: 2.66 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.46 | Np Likeness Score: -1.45 |
References
| 1. Hałdys K, Latajka R.. (2019) Thiosemicarbazones with tyrosinase inhibitory activity., 10 (3): [PMID:31015905] [10.1039/C9MD00005D] |
Source
Source(1):