| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4456988
Max Phase: Preclinical
Molecular Formula: C16H10Cl2FN3O2
Molecular Weight: 366.18
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)c1c(Nc2ccc(F)cc2)[nH]c2c(Cl)ccc(Cl)c2c1=O
Standard InChI: InChI=1S/C16H10Cl2FN3O2/c17-9-5-6-10(18)13-11(9)14(23)12(15(20)24)16(22-13)21-8-3-1-7(19)2-4-8/h1-6H,(H2,20,24)(H2,21,22,23)
Standard InChI Key: ODJWEGPHVAQXDB-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: 366.18 | Molecular Weight (Monoisotopic): 365.0134 | AlogP: 3.82 | #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: 11.45 | CX Basic pKa: | CX LogP: 3.65 | CX LogD: 3.65 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.66 | Np Likeness Score: -1.04 |
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):