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ID: ALA1709549
Max Phase: Preclinical
Molecular Formula: C17H17N3O5
Molecular Weight: 343.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
Standard InChI: InChI=1S/C17H17N3O5/c1-24-14-5-3-2-4-13(14)20-15(21)10-25-16(22)11-6-8-12(9-7-11)19-17(18)23/h2-9H,10H2,1H3,(H,20,21)(H3,18,19,23)
Standard InChI Key: HGXHCZRJBQFWNK-UHFFFAOYSA-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: 343.34 | Molecular Weight (Monoisotopic): 343.1168 | AlogP: 1.98 | #Rotatable Bonds: 6 |
| Polar Surface Area: 119.75 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.63 | CX Basic pKa: | CX LogP: 1.64 | CX LogD: 1.64 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.69 | Np Likeness Score: -1.51 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):