| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2311988
Max Phase: Preclinical
Molecular Formula: C17H18N2O3S
Molecular Weight: 330.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NCCOc1ccc2sc3ccc(OCCN)cc3c(=O)c2c1
Standard InChI: InChI=1S/C17H18N2O3S/c18-5-7-21-11-1-3-15-13(9-11)17(20)14-10-12(22-8-6-19)2-4-16(14)23-15/h1-4,9-10H,5-8,18-19H2
Standard InChI Key: HMGFUDREZLTTEO-UHFFFAOYSA-N
Associated Targets(Human)
Endoribonuclease Dicer 19 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 330.41 | Molecular Weight (Monoisotopic): 330.1038 | AlogP: 2.09 | #Rotatable Bonds: 6 |
| Polar Surface Area: 87.57 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.38 | CX LogP: 1.74 | CX LogD: -1.60 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.68 | Np Likeness Score: -0.43 |
References
| 1. Murata A, Fukuzumi T, Umemoto S, Nakatani K.. (2013) Xanthone derivatives as potential inhibitors of miRNA processing by human Dicer: targeting secondary structures of pre-miRNA by small molecules., 23 (1): [PMID:23164709] [10.1016/j.bmcl.2012.10.108] |
Source
Source(1):