| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3277007
Max Phase: Preclinical
Molecular Formula: C9H6INO
Molecular Weight: 271.06
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Ic1cc(-c2ccccc2)on1
Standard InChI: InChI=1S/C9H6INO/c10-9-6-8(12-11-9)7-4-2-1-3-5-7/h1-6H
Standard InChI Key: QCLCRZQZDMAIMP-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: 271.06 | Molecular Weight (Monoisotopic): 270.9494 | AlogP: 2.95 | #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: 2.87 | CX LogD: 2.87 |
| Aromatic Rings: 2 | Heavy Atoms: 12 | QED Weighted: 0.75 | Np Likeness Score: -1.24 |
References
| 1. Carr JB, Durham HG, Hass DK.. (1977) Isoxazole anthelmintics., 20 (7): [PMID:874967] [10.1021/jm00217a014] |
Source
Source(1):