| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4520206
Max Phase: Preclinical
Molecular Formula: C18H15NO3
Molecular Weight: 293.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1C=C2N(c3ccccc3)CCOC2(O)c2ccccc21
Standard InChI: InChI=1S/C18H15NO3/c20-16-12-17-18(21,15-9-5-4-8-14(15)16)22-11-10-19(17)13-6-2-1-3-7-13/h1-9,12,21H,10-11H2
Standard InChI Key: SMUHSRARSBTTHY-UHFFFAOYSA-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: 293.32 | Molecular Weight (Monoisotopic): 293.1052 | AlogP: 2.45 | #Rotatable Bonds: 1 |
| Polar Surface Area: 49.77 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.30 | CX Basic pKa: | CX LogP: 2.88 | CX LogD: 2.88 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.88 | Np Likeness Score: 0.10 |
References
| 1. (2013) Galactokinase inhibitors, |
Source
Source(1):