| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3955812
Max Phase: Preclinical
Molecular Formula: C20H16O9
Molecular Weight: 400.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc2cc(O)c(O)c(O)c12
Standard InChI: InChI=1S/C20H16O9/c21-9-4-11(22)10-6-14(25)20(29-15(10)5-9)8-1-7-2-13(24)18(27)19(28)16(7)17(26)12(23)3-8/h1-5,14,20-22,24-25,27-28H,6H2,(H,23,26)
Standard InChI Key: KOXRJHMEFYNYME-UHFFFAOYSA-N
Associated Targets(Human)
Translin-associated protein X 21 Activities
Molecule Features
| Natural Product: Yes | 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: 400.34 | Molecular Weight (Monoisotopic): 400.0794 | AlogP: 1.47 | #Rotatable Bonds: 1 |
| Polar Surface Area: 167.91 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 7 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.76 | CX Basic pKa: 2.94 | CX LogP: 2.10 | CX LogD: 1.36 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.30 | Np Likeness Score: 2.15 |
References
| 1. Asada K, Canestrari E, Paroo Z.. (2016) A druggable target for rescuing microRNA defects., 26 (20): [PMID:27641467] [10.1016/j.bmcl.2016.09.019] |
Source
Source(1):