| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1801801
Max Phase: Preclinical
Molecular Formula: C14H11Br2NO2
Molecular Weight: 385.06
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(NC(=O)c2cc(Br)cc(Br)c2O)cc1
Standard InChI: InChI=1S/C14H11Br2NO2/c1-8-2-4-10(5-3-8)17-14(19)11-6-9(15)7-12(16)13(11)18/h2-7,18H,1H3,(H,17,19)
Standard InChI Key: NBHHAFCAAMDPSL-UHFFFAOYSA-N
Associated Targets(non-human)
Onchocerca ochengi 683 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: 385.06 | Molecular Weight (Monoisotopic): 382.9157 | AlogP: 4.48 | #Rotatable Bonds: 2 |
| Polar Surface Area: 49.33 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.16 | CX Basic pKa: | CX LogP: 4.81 | CX LogD: 3.61 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.80 | Np Likeness Score: -1.13 |
References
| 1. Garner AL, Gloeckner C, Tricoche N, Zakhari JS, Samje M, Cho-Ngwa F, Lustigman S, Janda KD.. (2011) Design, synthesis, and biological activities of closantel analogues: structural promiscuity and its impact on Onchocerca volvulus., 54 (11): [PMID:21534605] [10.1021/jm200364n] |
Source
Source(1):