| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3936460
Max Phase: Preclinical
Molecular Formula: C17H13N3OS
Molecular Weight: 307.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCc1ccc(-c2nc(-c3ccncc3)c3ccccn23)s1
Standard InChI: InChI=1S/C17H13N3OS/c21-11-13-4-5-15(22-13)17-19-16(12-6-8-18-9-7-12)14-3-1-2-10-20(14)17/h1-10,21H,11H2
Standard InChI Key: VXBDITGRZABHAT-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: 307.38 | Molecular Weight (Monoisotopic): 307.0779 | AlogP: 3.62 | #Rotatable Bonds: 3 |
| Polar Surface Area: 50.42 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.26 | CX LogP: 2.39 | CX LogD: 2.39 |
| Aromatic Rings: 4 | Heavy Atoms: 22 | QED Weighted: 0.63 | Np Likeness Score: -1.06 |
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):