| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5197664
Max Phase: Preclinical
Molecular Formula: C15H14ClNO2
Molecular Weight: 275.74
Associated Items:
Representations
Canonical SMILES: Cc1cccc(CNC(=O)c2cc(Cl)ccc2O)c1
Standard InChI: InChI=1S/C15H14ClNO2/c1-10-3-2-4-11(7-10)9-17-15(19)13-8-12(16)5-6-14(13)18/h2-8,18H,9H2,1H3,(H,17,19)
Standard InChI Key: PEUBWCQSUCGXOW-UHFFFAOYSA-N
Associated Targets(non-human)
Vero C1008 1716 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 275.74 | Molecular Weight (Monoisotopic): 275.0713 | AlogP: 3.28 | #Rotatable Bonds: 3 |
| Polar Surface Area: 49.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.66 | CX Basic pKa: | CX LogP: 4.24 | CX LogD: 4.05 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.90 | Np Likeness Score: -1.45 |
References
| 1. Juang YP, Chou YT, Lin RX, Ma HH, Chao TL, Jan JT, Chang SY, Liang PH.. (2022) Design, synthesis and biological evaluations of niclosamide analogues against SARS-CoV-2., 235 [PMID:35344901] [10.1016/j.ejmech.2022.114295] |
Source
Source(1):