| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3273398
Max Phase: Preclinical
Molecular Formula: C8H13IO2
Molecular Weight: 268.09
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCOC(=O)/C=C/CI
Standard InChI: InChI=1S/C8H13IO2/c1-2-3-7-11-8(10)5-4-6-9/h4-5H,2-3,6-7H2,1H3/b5-4+
Standard InChI Key: PFXZKSBRCJZDFV-SNAWJCMRSA-N
Associated Targets(non-human)
Candida albicans 78123 Activities
Aspergillus niger 16508 Activities
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Mucor mucedo 338 Activities
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Trichophyton mentagrophytes 4846 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 268.09 | Molecular Weight (Monoisotopic): 267.9960 | AlogP: 2.32 | #Rotatable Bonds: 5 |
| Polar Surface Area: 26.30 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.31 | CX LogD: 3.31 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.25 | Np Likeness Score: 0.53 |
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):