| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1705486
Max Phase: Preclinical
Molecular Formula: C23H20N4O7
Molecular Weight: 464.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1
Standard InChI: InChI=1S/C23H20N4O7/c1-33-21-12-15(13-24-26-23(30)18-4-2-3-5-19(18)28)6-11-20(21)34-14-22(29)25-16-7-9-17(10-8-16)27(31)32/h2-13,28H,14H2,1H3,(H,25,29)(H,26,30)/b24-13+
Standard InChI Key: QMFNGHGCMKMXOK-ZMOGYAJESA-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 |
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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: 464.43 | Molecular Weight (Monoisotopic): 464.1332 | AlogP: 3.09 | #Rotatable Bonds: 9 |
| Polar Surface Area: 152.39 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.03 | CX Basic pKa: 1.22 | CX LogP: 3.85 | CX LogD: 3.76 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.25 | Np Likeness Score: -1.65 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):