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ID: ALA1731046
Max Phase: Preclinical
Molecular Formula: C17H16ClN3O5
Molecular Weight: 377.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(NC(N)=O)cc1
Standard InChI: InChI=1S/C17H16ClN3O5/c1-25-14-7-4-11(18)8-13(14)21-15(22)9-26-16(23)10-2-5-12(6-3-10)20-17(19)24/h2-8H,9H2,1H3,(H,21,22)(H3,19,20,24)
Standard InChI Key: LYMYEUQJYJGHSC-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: 377.78 | Molecular Weight (Monoisotopic): 377.0778 | AlogP: 2.63 | #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: 11.47 | CX Basic pKa: | CX LogP: 2.24 | CX LogD: 2.24 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.67 | Np Likeness Score: -1.63 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):