| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3329261
Max Phase: Preclinical
Molecular Formula: C23H17BrN2O2
Molecular Weight: 433.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3ccccn23)c(O)c1
Standard InChI: InChI=1S/C23H17BrN2O2/c1-15-5-10-18(21(28)14-15)20(27)12-11-19-23(16-6-8-17(24)9-7-16)25-22-4-2-3-13-26(19)22/h2-14,28H,1H3/b12-11+
Standard InChI Key: VTZPVWOLFRJCFG-VAWYXSNFSA-N
Associated Targets(non-human)
Bacillus 868 Activities
Aspergillus niger 16508 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: 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 |
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Properties
| Molecular Weight: 433.31 | Molecular Weight (Monoisotopic): 432.0473 | AlogP: 5.67 | #Rotatable Bonds: 4 |
| Polar Surface Area: 54.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.30 | CX Basic pKa: 5.16 | CX LogP: 6.26 | CX LogD: 5.90 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.33 | Np Likeness Score: -1.09 |
References
| 1. Singh P, Anand A, Kumar V.. (2014) Recent developments in biological activities of chalcones: a mini review., 85 [PMID:25137491] [10.1016/j.ejmech.2014.08.033] |
Source
Source(1):