| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2234876
Max Phase: Preclinical
Molecular Formula: C15H10O6
Molecular Weight: 286.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1cc(-c2ccccc2O)oc2c(O)c(O)cc(O)c12
Standard InChI: InChI=1S/C15H10O6/c16-8-4-2-1-3-7(8)12-6-10(18)13-9(17)5-11(19)14(20)15(13)21-12/h1-6,16-17,19-20H
Standard InChI Key: DIJLMQKOVNSDRQ-UHFFFAOYSA-N
Associated Targets(non-human)
Avian myoblastosis virus polyprotein II 68 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: 286.24 | Molecular Weight (Monoisotopic): 286.0477 | AlogP: 2.28 | #Rotatable Bonds: 1 |
| Polar Surface Area: 111.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.78 | CX Basic pKa: | CX LogP: 2.40 | CX LogD: 1.64 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.40 | Np Likeness Score: 1.47 |
References
| 1. Phosrithong N, Samee W, Ungwitayatorn J. (2012) 3D-QSAR studies of natural flavonoid compounds as reverse transcriptase inhibitors, 21 (5): [10.1007/s00044-011-9570-z] |
Source
Source(1):