| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3908512
Max Phase: Preclinical
Molecular Formula: C19H16N2O2S
Molecular Weight: 336.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCc1ccc(-c2nc(-c3ccccc3CO)c3ccccn23)s1
Standard InChI: InChI=1S/C19H16N2O2S/c22-11-13-5-1-2-6-15(13)18-16-7-3-4-10-21(16)19(20-18)17-9-8-14(12-23)24-17/h1-10,22-23H,11-12H2
Standard InChI Key: RUSRKTMSFAJPJW-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: 336.42 | Molecular Weight (Monoisotopic): 336.0932 | AlogP: 3.71 | #Rotatable Bonds: 4 |
| Polar Surface Area: 57.76 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.24 | CX LogP: 2.84 | CX LogD: 2.84 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.60 | Np Likeness Score: -0.69 |
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):