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ID: ALA1731262
Max Phase: Preclinical
Molecular Formula: C19H19N3O3S
Molecular Weight: 369.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1N=C1SC(C(=O)Nc2ccccc2)CC(=O)N1C
Standard InChI: InChI=1S/C19H19N3O3S/c1-22-17(23)12-16(18(24)20-13-8-4-3-5-9-13)26-19(22)21-14-10-6-7-11-15(14)25-2/h3-11,16H,12H2,1-2H3,(H,20,24)
Standard InChI Key: DIOVFQDACQWMEM-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: 369.45 | Molecular Weight (Monoisotopic): 369.1147 | AlogP: 3.29 | #Rotatable Bonds: 4 |
| 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: 12.65 | CX Basic pKa: 1.98 | CX LogP: 3.21 | CX LogD: 3.21 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.90 | Np Likeness Score: -1.35 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):