| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3276997
Max Phase: Preclinical
Molecular Formula: C9H4Cl3NO
Molecular Weight: 248.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(-c2cc(Cl)no2)c(Cl)c1
Standard InChI: InChI=1S/C9H4Cl3NO/c10-5-1-2-6(7(11)3-5)8-4-9(12)13-14-8/h1-4H
Standard InChI Key: WCROOPBEWWNIDT-UHFFFAOYSA-N
Associated Targets(non-human)
Nippostrongylus brasiliensis 122 Activities
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: 248.50 | Molecular Weight (Monoisotopic): 246.9358 | AlogP: 4.30 | #Rotatable Bonds: 1 |
| Polar Surface Area: 26.03 | Molecular Species: NEUTRAL | 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: 3.94 | CX LogD: 3.94 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.75 | Np Likeness Score: -1.76 |
References
| 1. Carr JB, Durham HG, Hass DK.. (1977) Isoxazole anthelmintics., 20 (7): [PMID:874967] [10.1021/jm00217a014] |
Source
Source(1):