| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2348118
Max Phase: Preclinical
Molecular Formula: C13H9BrN2O4
Molecular Weight: 337.13
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O
Standard InChI: InChI=1S/C13H9BrN2O4/c14-8-1-6-12(17)11(7-8)13(18)15-9-2-4-10(5-3-9)16(19)20/h1-7,17H,(H,15,18)
Standard InChI Key: MGFBVPMCHNAYJG-UHFFFAOYSA-N
Associated Targets(Human)
Frizzled-1 143 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: 337.13 | Molecular Weight (Monoisotopic): 335.9746 | AlogP: 3.32 | #Rotatable Bonds: 3 |
| Polar Surface Area: 92.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.99 | CX Basic pKa: | CX LogP: 3.47 | CX LogD: 2.93 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.66 | Np Likeness Score: -1.53 |
References
| 1. Mook RA, Chen M, Lu J, Barak LS, Lyerly HK, Chen W.. (2013) Small molecule modulators of Wnt/β-catenin signaling., 23 (7): [PMID:23453073] [10.1016/j.bmcl.2013.01.101] |
Source
Source(1):