| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1715789
Max Phase: Preclinical
Molecular Formula: C25H25N3O5
Molecular Weight: 447.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc(C)c(C)c1
Standard InChI: InChI=1S/C25H25N3O5/c1-16-8-10-19(12-17(16)2)27-24(30)15-33-22-11-9-18(13-23(22)32-3)14-26-28-25(31)20-6-4-5-7-21(20)29/h4-14,29H,15H2,1-3H3,(H,27,30)(H,28,31)/b26-14-
Standard InChI Key: UJGLINDXUJHLBI-WGARJPEWSA-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: 447.49 | Molecular Weight (Monoisotopic): 447.1794 | AlogP: 3.80 | #Rotatable Bonds: 8 |
| Polar Surface Area: 109.25 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.03 | CX Basic pKa: 1.26 | CX LogP: 4.93 | CX LogD: 4.84 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.36 | Np Likeness Score: -1.61 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):