| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4439386
Max Phase: Preclinical
Molecular Formula: C17H13Cl2N3O3
Molecular Weight: 378.22
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cccc(Nc2[nH]c3c(Cl)ccc(Cl)c3c(=O)c2C(N)=O)c1
Standard InChI: InChI=1S/C17H13Cl2N3O3/c1-25-9-4-2-3-8(7-9)21-17-13(16(20)24)15(23)12-10(18)5-6-11(19)14(12)22-17/h2-7H,1H3,(H2,20,24)(H2,21,22,23)
Standard InChI Key: AIUYJAGGBBOWHA-UHFFFAOYSA-N
Associated Targets(Human)
Protein lin-28 homolog A 23 Activities
Protein lin-28 homolog A/B 29 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 378.22 | Molecular Weight (Monoisotopic): 377.0334 | AlogP: 3.69 | #Rotatable Bonds: 4 |
| Polar Surface Area: 97.21 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.45 | CX Basic pKa: | CX LogP: 3.35 | CX LogD: 3.35 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.65 | Np Likeness Score: -0.87 |
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):