| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2311987
Max Phase: Preclinical
Molecular Formula: C21H26N2O4
Molecular Weight: 370.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)CCOc1ccc2oc3ccc(OCCN(C)C)cc3c(=O)c2c1
Standard InChI: InChI=1S/C21H26N2O4/c1-22(2)9-11-25-15-5-7-19-17(13-15)21(24)18-14-16(6-8-20(18)27-19)26-12-10-23(3)4/h5-8,13-14H,9-12H2,1-4H3
Standard InChI Key: BUHPVKSIJYDUFM-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: 370.45 | Molecular Weight (Monoisotopic): 370.1893 | AlogP: 2.83 | #Rotatable Bonds: 8 |
| Polar Surface Area: 55.15 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.36 | CX LogP: 2.68 | CX LogD: 1.19 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.57 | Np Likeness Score: -0.27 |
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):