| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3359428
Max Phase: Preclinical
Molecular Formula: C21H17F3O3
Molecular Weight: 374.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccc(C(F)(F)F)c3)c2O)O1
Standard InChI: InChI=1S/C21H17F3O3/c1-20(2)11-10-16-18(27-20)9-7-15(19(16)26)17(25)8-6-13-4-3-5-14(12-13)21(22,23)24/h3-12,26H,1-2H3/b8-6+
Standard InChI Key: UTGQMDOHYHWACS-SOFGYWHQSA-N
Associated Targets(Human)
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha 820 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: 374.36 | Molecular Weight (Monoisotopic): 374.1130 | AlogP: 5.49 | #Rotatable Bonds: 3 |
| Polar Surface Area: 46.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.06 | CX Basic pKa: | CX LogP: 6.02 | CX LogD: 5.52 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.57 | Np Likeness Score: 0.96 |
References
| 1. Wang L, Chen G, Lu X, Wang S, Han S, Li Y, Ping G, Jiang X, Li H, Yang J, Wu C.. (2015) Novel chalcone derivatives as hypoxia-inducible factor (HIF)-1 inhibitor: synthesis, anti-invasive and anti-angiogenic properties., 89 [PMID:25462229] [10.1016/j.ejmech.2014.10.036] |
Source
Source(1):