| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2272856
Max Phase: Preclinical
Molecular Formula: C18H19ClFNO2S
Molecular Weight: 367.87
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1c2c(sn1-c1cc(OC3CCCC3)c(Cl)cc1F)CCCC2
Standard InChI: InChI=1S/C18H19ClFNO2S/c19-13-9-14(20)15(10-16(13)23-11-5-1-2-6-11)21-18(22)12-7-3-4-8-17(12)24-21/h9-11H,1-8H2
Standard InChI Key: RJJNQTSISNCWOZ-UHFFFAOYSA-N
Associated Targets(non-human)
Scenedesmus acutus 534 Activities
Protoporphyrinogen IX oxidase 122 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: 367.87 | Molecular Weight (Monoisotopic): 367.0809 | AlogP: 4.89 | #Rotatable Bonds: 3 |
| Polar Surface Area: 31.23 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.01 | CX LogD: 5.01 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.77 | Np Likeness Score: -0.83 |
References
| 1. MIYAMOTO Y, IKEDA Y, WAKABAYASHI K. (2003) Synthesis and Phytotoxic Activities of N-Substituted Phenyl Isothiazolone Derivatives, 28 (3): [10.1584/jpestics.28.293] |
Source
Source(1):