| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3115476
Max Phase: Preclinical
Molecular Formula: C15H12O6
Molecular Weight: 288.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C(\O)c1ccccc1O)c1ccc(O)c(O)c1O
Standard InChI: InChI=1S/C15H12O6/c16-10-4-2-1-3-8(10)12(18)7-13(19)9-5-6-11(17)15(21)14(9)20/h1-7,16-18,20-21H/b12-7-
Standard InChI Key: GVDNJVZDYXIVKK-GHXNOFRVSA-N
Associated Targets(Human)
SUMO E1/E2 116 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: 288.25 | Molecular Weight (Monoisotopic): 288.0634 | AlogP: 2.29 | #Rotatable Bonds: 3 |
| Polar Surface Area: 118.22 | Molecular Species: ACID | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.46 | CX Basic pKa: | CX LogP: 2.57 | CX LogD: 0.61 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.26 | Np Likeness Score: 0.74 |
References
| 1. Kim YS, Keyser SG, Schneekloth JS.. (2014) Synthesis of 2',3',4'-trihydroxyflavone (2-D08), an inhibitor of protein sumoylation., 24 (4): [PMID:24468414] [10.1016/j.bmcl.2014.01.010] |
Source
Source(1):