| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3915177
Max Phase: Preclinical
Molecular Formula: C20H12F6N2O2
Molecular Weight: 426.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCc1ccc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccn23)o1
Standard InChI: InChI=1S/C20H12F6N2O2/c21-19(22,23)12-7-11(8-13(9-12)20(24,25)26)17-15-3-1-2-6-28(15)18(27-17)16-5-4-14(10-29)30-16/h1-9,29H,10H2
Standard InChI Key: TYHUMMGPUUALTI-UHFFFAOYSA-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: 426.32 | Molecular Weight (Monoisotopic): 426.0803 | AlogP: 5.79 | #Rotatable Bonds: 3 |
| Polar Surface Area: 50.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.70 | CX Basic pKa: 4.68 | CX LogP: 4.44 | CX LogD: 4.44 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.42 | Np Likeness Score: -0.91 |
References
| 1. Fuse S, Ohuchi T, Asawa Y, Sato S, Nakamura H.. (2016) Development of 1-aryl-3-furanyl/thienyl-imidazopyridine templates for inhibitors against hypoxia inducible factor (HIF)-1 transcriptional activity., 26 (24): [PMID:27847273] [10.1016/j.bmcl.2016.11.009] |
Source
Source(1):