| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3940432
Max Phase: Preclinical
Molecular Formula: C19H16N2O3
Molecular Weight: 320.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1-c1nc(-c2ccc(CO)o2)n2ccccc12
Standard InChI: InChI=1S/C19H16N2O3/c1-23-16-8-3-2-6-14(16)18-15-7-4-5-11-21(15)19(20-18)17-10-9-13(12-22)24-17/h2-11,22H,12H2,1H3
Standard InChI Key: NIXKGADDZWUZNH-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: 320.35 | Molecular Weight (Monoisotopic): 320.1161 | AlogP: 3.76 | #Rotatable Bonds: 4 |
| Polar Surface Area: 59.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.70 | CX Basic pKa: 4.61 | CX LogP: 2.52 | CX LogD: 2.52 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.62 | Np Likeness Score: -0.66 |
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):