| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3273402
Max Phase: Preclinical
Molecular Formula: C6H10O3
Molecular Weight: 130.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC/C=C/C(=O)OC
Standard InChI: InChI=1S/C6H10O3/c1-8-5-3-4-6(7)9-2/h3-4H,5H2,1-2H3/b4-3+
Standard InChI Key: JMXSTMJTPSFRNI-ONEGZZNKSA-N
Associated Targets(non-human)
Mucor mucedo 338 Activities
Trichophyton mentagrophytes 4846 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 130.14 | Molecular Weight (Monoisotopic): 130.0630 | AlogP: 0.36 | #Rotatable Bonds: 3 |
| Polar Surface Area: 35.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.66 | CX LogD: 0.66 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.41 | Np Likeness Score: 1.59 |
References
| 1. Gershon H, Shanks L, Gawiak DE.. (1976) Antifungal activity of 4-substituted crotonic acid esters., 19 (8): [PMID:787525] [10.1021/jm00230a019] |
Source
Source(1):