| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4452759
Max Phase: Preclinical
Molecular Formula: C12H7NO4
Molecular Weight: 229.19
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=c1cc(-c2ccco2)nc(-c2ccco2)o1
Standard InChI: InChI=1S/C12H7NO4/c14-11-7-8(9-3-1-5-15-9)13-12(17-11)10-4-2-6-16-10/h1-7H
Standard InChI Key: PRXYUSHWJZSSNB-UHFFFAOYSA-N
Associated Targets(Human)
Ectonucleoside triphosphate diphosphohydrolase 5 478 Activities
Associated Targets(non-human)
Uridylate kinase 158 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 229.19 | Molecular Weight (Monoisotopic): 229.0375 | AlogP: 2.55 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.38 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.49 | CX LogD: 1.49 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.67 | Np Likeness Score: -1.13 |
References
| 1. (2012) Entpd5 inhibitors, |
Source
Source(1):