| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4277825
Max Phase: Preclinical
Molecular Formula: C3H6S4
Molecular Weight: 170.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C1SCSSCS1
Standard InChI: InChI=1S/C3H6S4/c1-4-2-6-7-3-5-1/h1-3H2
Standard InChI Key: LCABDMYFXTZXMI-UHFFFAOYSA-N
Associated Targets(non-human)
Pyricularia oryzae 1832 Activities
Molecule Features
| Natural Product: Yes | 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: 170.35 | Molecular Weight (Monoisotopic): 169.9352 | AlogP: 2.72 | #Rotatable Bonds: 0 |
| Polar Surface Area: 0.00 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 0 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.06 | CX LogD: 2.06 |
| Aromatic Rings: 0 | Heavy Atoms: 7 | QED Weighted: 0.51 | Np Likeness Score: 0.07 |
References
| 1. Davison EK, Sperry J.. (2017) Natural Products with Heteroatom-Rich Ring Systems., 80 (11): [PMID:29135244] [10.1021/acs.jnatprod.7b00575] |
Source
Source(1):