| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4556350
Max Phase: Preclinical
Molecular Formula: C19H14O4
Molecular Weight: 306.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1OC(c2ccccc2)OC(=O)C1=C/C=C/c1ccccc1
Standard InChI: InChI=1S/C19H14O4/c20-17-16(13-7-10-14-8-3-1-4-9-14)18(21)23-19(22-17)15-11-5-2-6-12-15/h1-13,19H/b10-7+,16-13-
Standard InChI Key: LGYJWRYIFAPBQE-SBFJKYRKSA-N
Associated Targets(Human)
GALK1 Tbio Galactokinase (959 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 306.32 | Molecular Weight (Monoisotopic): 306.0892 | AlogP: 3.43 | #Rotatable Bonds: 3 |
| Polar Surface Area: 52.60 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.89 | CX LogD: 4.89 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.50 | Np Likeness Score: 0.23 |
References
| 1. (2013) Galactokinase inhibitors, |
Source
Source(1):