| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4438300
Max Phase: Preclinical
Molecular Formula: C16H9Cl4N3O2
Molecular Weight: 417.08
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)c1c(Nc2ccc(Cl)cc2Cl)[nH]c2c(Cl)c(Cl)ccc2c1=O
Standard InChI: InChI=1S/C16H9Cl4N3O2/c17-6-1-4-10(9(19)5-6)22-16-11(15(21)25)14(24)7-2-3-8(18)12(20)13(7)23-16/h1-5H,(H2,21,25)(H2,22,23,24)
Standard InChI Key: UOATVSFVBCGXMA-UHFFFAOYSA-N
Associated Targets(Human)
Protein lin-28 homolog A 23 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 417.08 | Molecular Weight (Monoisotopic): 414.9449 | AlogP: 4.98 | #Rotatable Bonds: 3 |
| Polar Surface Area: 87.98 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.49 | CX Basic pKa: | CX LogP: 4.72 | CX LogD: 4.72 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.56 | Np Likeness Score: -0.99 |
References
| 1. Lim D, Byun WG, Park SB.. (2018) Restoring Let-7 microRNA Biogenesis Using a Small-Molecule Inhibitor of the Protein-RNA Interaction., 9 (12): [PMID:30613323] [10.1021/acsmedchemlett.8b00323] |
Source
Source(1):