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ID: ALA1704868
Max Phase: Preclinical
Molecular Formula: C20H20FN3O3S
Molecular Weight: 401.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1C(=O)CC(C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1OC
Standard InChI: InChI=1S/C20H20FN3O3S/c1-3-24-18(25)12-17(19(26)22-14-10-8-13(21)9-11-14)28-20(24)23-15-6-4-5-7-16(15)27-2/h4-11,17H,3,12H2,1-2H3,(H,22,26)/b23-20-
Standard InChI Key: SRJISTVTQYIXCE-ATJXCDBQSA-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 |
|---|
Properties
| Molecular Weight: 401.46 | Molecular Weight (Monoisotopic): 401.1209 | AlogP: 3.81 | #Rotatable Bonds: 5 |
| Polar Surface Area: 71.00 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.67 | CX Basic pKa: 1.97 | CX LogP: 3.71 | CX LogD: 3.71 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.83 | Np Likeness Score: -1.78 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):