| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5289392
Max Phase: Preclinical
Molecular Formula: C7H6Br2O2
Molecular Weight: 281.93
Associated Items:
Representations
Canonical SMILES: CC1=C(Br)/C(=C(\C)Br)OC1=O
Standard InChI: InChI=1S/C7H6Br2O2/c1-3-5(9)6(4(2)8)11-7(3)10/h1-2H3/b6-4-
Standard InChI Key: BPZPXEYMNNPGEL-XQRVVYSFSA-N
Associated Targets(non-human)
Transcriptional activator protein lasR 432 Activities
Pseudomonas aeruginosa 123386 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 281.93 | Molecular Weight (Monoisotopic): 279.8735 | AlogP: 2.84 | #Rotatable Bonds: 0 |
| Polar Surface Area: 26.30 | Molecular Species: | 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: 2.11 | CX LogD: 2.11 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.64 | Np Likeness Score: 1.02 |
References
| 1. Ampomah-Wireko M, Luo C, Cao Y, Wang H, Nininahazwe L, Wu C.. (2021) Chemical probe of AHL modulators on quorum sensing in Gram-Negative Bacteria and as antiproliferative agents: A review., 226 [PMID:34626877] [10.1016/j.ejmech.2021.113864] |
Source
Source(1):