| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1722484
Max Phase: Preclinical
Molecular Formula: C17H16N4O7
Molecular Weight: 388.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
Standard InChI: InChI=1S/C17H16N4O7/c1-27-14-7-6-12(21(25)26)8-13(14)20-15(22)9-28-16(23)10-2-4-11(5-3-10)19-17(18)24/h2-8H,9H2,1H3,(H,20,22)(H3,18,19,24)
Standard InChI Key: JRAODKDRMWIPRJ-UHFFFAOYSA-N
Associated Targets(Human)
Eukaryotic translation initiation factor 4H 242 Activities
Polyadenylate-binding protein 1 2615 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: 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: 388.34 | Molecular Weight (Monoisotopic): 388.1019 | AlogP: 1.89 | #Rotatable Bonds: 7 |
| Polar Surface Area: 162.89 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.19 | CX Basic pKa: | CX LogP: 1.58 | CX LogD: 1.58 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.37 | Np Likeness Score: -1.69 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):