| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2311985
Max Phase: Preclinical
Molecular Formula: C25H34N2O4
Molecular Weight: 426.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NCCCCCCOc1ccc2oc3ccc(OCCCCCCN)cc3c(=O)c2c1
Standard InChI: InChI=1S/C25H34N2O4/c26-13-5-1-3-7-15-29-19-9-11-23-21(17-19)25(28)22-18-20(10-12-24(22)31-23)30-16-8-4-2-6-14-27/h9-12,17-18H,1-8,13-16,26-27H2
Standard InChI Key: PCXSGILLBJCPIV-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: 426.56 | Molecular Weight (Monoisotopic): 426.2519 | AlogP: 4.74 | #Rotatable Bonds: 14 |
| 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: 10.51 | CX LogP: 3.98 | CX LogD: -1.23 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.29 | Np Likeness Score: 0.10 |
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):