| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1709821
Max Phase: Preclinical
Molecular Formula: C18H18N2O7
Molecular Weight: 374.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1
Standard InChI: InChI=1S/C18H18N2O7/c1-25-10-12-3-5-13(6-4-12)18(22)27-11-17(21)19-15-8-7-14(20(23)24)9-16(15)26-2/h3-9H,10-11H2,1-2H3,(H,19,21)
Standard InChI Key: ISMGPWBBQNWLAK-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: 374.35 | Molecular Weight (Monoisotopic): 374.1114 | AlogP: 2.55 | #Rotatable Bonds: 8 |
| Polar Surface Area: 117.00 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.08 | CX Basic pKa: | CX LogP: 2.55 | CX LogD: 2.55 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.43 | Np Likeness Score: -1.56 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):