| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5289039
Max Phase: Preclinical
Molecular Formula: C17H10Cl2N4O4S
Molecular Weight: 437.26
Associated Items:
Representations
Canonical SMILES: O=C(O)/C(=N\Nc1ncc(-c2ccc(Cl)c(Cl)c2)s1)c1ccccc1[N+](=O)[O-]
Standard InChI: InChI=1S/C17H10Cl2N4O4S/c18-11-6-5-9(7-12(11)19)14-8-20-17(28-14)22-21-15(16(24)25)10-3-1-2-4-13(10)23(26)27/h1-8H,(H,20,22)(H,24,25)/b21-15-
Standard InChI Key: MVJZGVTUJQAVFI-QNGOZBTKSA-N
Associated Targets(Human)
Eukaryotic translation initation factor 600 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 437.26 | Molecular Weight (Monoisotopic): 435.9800 | AlogP: 4.93 | #Rotatable Bonds: 6 |
| Polar Surface Area: 117.72 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.18 | CX Basic pKa: 3.24 | CX LogP: 5.03 | CX LogD: 2.25 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.32 | Np Likeness Score: -1.51 |
References
| 1. Fan A, Sharp PP.. (2021) Inhibitors of Eukaryotic Translational Machinery as Therapeutic Agents., 64 (5.0): [PMID:33592144] [10.1021/acs.jmedchem.0c01746] |
Source
Source(1):