| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267520
Max Phase: Preclinical
Molecular Formula: C17H15BrO3
Molecular Weight: 347.21
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C=C/C(=O)c2ccc(O)c(C)c2)cc1Br
Standard InChI: InChI=1S/C17H15BrO3/c1-11-9-13(5-7-15(11)19)16(20)6-3-12-4-8-17(21-2)14(18)10-12/h3-10,19H,1-2H3/b6-3+
Standard InChI Key: FQGVESCZSZNDMF-ZZXKWVIFSA-N
Associated Targets(non-human)
Bacillus anthracis 2936 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: 347.21 | Molecular Weight (Monoisotopic): 346.0205 | AlogP: 4.37 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.24 | CX Basic pKa: | CX LogP: 4.71 | CX LogD: 4.65 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.66 | Np Likeness Score: 0.13 |
References
| 1. Dan W, Dai J.. (2020) Recent developments of chalcones as potential antibacterial agents in medicinal chemistry., 187 [PMID:31877539] [10.1016/j.ejmech.2019.111980] |
Source
Source(1):