| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4577356
Max Phase: Preclinical
Molecular Formula: C25H16N2O3
Molecular Weight: 392.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12
Standard InChI: InChI=1S/C25H16N2O3/c28-23-22(24(29)27(25(30)26-23)18-10-2-1-3-11-18)15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h1-15H,(H,26,28,30)/b22-15+
Standard InChI Key: OKJWTOBUUJGNRU-PXLXIMEGSA-N
Associated Targets(Human)
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: 392.41 | Molecular Weight (Monoisotopic): 392.1161 | AlogP: 4.66 | #Rotatable Bonds: 2 |
| Polar Surface Area: 66.48 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.56 | CX Basic pKa: | CX LogP: 4.64 | CX LogD: 3.78 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.31 | Np Likeness Score: -0.89 |
References
| 1. (2013) Galactokinase inhibitors, |
Source
Source(1):