| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA325455
Max Phase: Preclinical
Molecular Formula: C12H13ClN2O2
Molecular Weight: 252.70
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
Standard InChI: InChI=1S/C12H13ClN2O2/c1-17-5-4-14-12(16)11-7-8-6-9(13)2-3-10(8)15-11/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
Standard InChI Key: ROWXWPZKHVSPAD-UHFFFAOYSA-N
Associated Targets(non-human)
Liver glycogen phosphorylase 9 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: 252.70 | Molecular Weight (Monoisotopic): 252.0666 | AlogP: 2.20 | #Rotatable Bonds: 4 |
| Polar Surface Area: 54.12 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.62 | CX LogD: 1.62 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.82 | Np Likeness Score: -1.68 |
References
| 1. Erlanson DA, McDowell RS, O'Brien T.. (2004) Fragment-based drug discovery., 47 (14): [PMID:15214773] [10.1021/jm040031v] |
Source
Source(1):