| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1703699
Max Phase: Preclinical
Molecular Formula: C23H20N4O6
Molecular Weight: 448.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1
Standard InChI: InChI=1S/C23H20N4O6/c1-32-21-13-16(14-24-26-23(29)17-5-3-2-4-6-17)7-12-20(21)33-15-22(28)25-18-8-10-19(11-9-18)27(30)31/h2-14H,15H2,1H3,(H,25,28)(H,26,29)/b24-14+
Standard InChI Key: BSDUJFUPGWJUBW-ZVHZXABRSA-N
Associated Targets(Human)
Eukaryotic translation initiation factor 4H 242 Activities
Polyadenylate-binding protein 1 2615 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 448.44 | Molecular Weight (Monoisotopic): 448.1383 | AlogP: 3.38 | #Rotatable Bonds: 9 |
| Polar Surface Area: 132.16 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.62 | CX Basic pKa: 1.37 | CX LogP: 3.50 | CX LogD: 3.50 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.29 | Np Likeness Score: -1.79 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):