| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2311986
Max Phase: Preclinical
Molecular Formula: C19H22N2O4
Molecular Weight: 342.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(CN)Oc1ccc2oc3ccc(OC(C)CN)cc3c(=O)c2c1
Standard InChI: InChI=1S/C19H22N2O4/c1-11(9-20)23-13-3-5-17-15(7-13)19(22)16-8-14(24-12(2)10-21)4-6-18(16)25-17/h3-8,11-12H,9-10,20-21H2,1-2H3
Standard InChI Key: QLFRNINFCGCFCZ-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: 342.40 | Molecular Weight (Monoisotopic): 342.1580 | AlogP: 2.40 | #Rotatable Bonds: 6 |
| Polar Surface Area: 100.71 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.43 | CX LogP: 1.88 | CX LogD: -1.54 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.67 | Np Likeness Score: 0.00 |
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):