| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3277000
Max Phase: Preclinical
Molecular Formula: C9H5ClN2O3
Molecular Weight: 224.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=[N+]([O-])c1ccc(-c2cc(Cl)no2)cc1
Standard InChI: InChI=1S/C9H5ClN2O3/c10-9-5-8(15-11-9)6-1-3-7(4-2-6)12(13)14/h1-5H
Standard InChI Key: RKXBCBYEHKPBOS-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: 224.60 | Molecular Weight (Monoisotopic): 223.9989 | AlogP: 2.90 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.17 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.67 | CX LogD: 2.67 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.58 | Np Likeness Score: -1.80 |
References
| 1. Carr JB, Durham HG, Hass DK.. (1977) Isoxazole anthelmintics., 20 (7): [PMID:874967] [10.1021/jm00217a014] |
Source
Source(1):