| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1910151
Max Phase: Preclinical
Molecular Formula: C19H14N4O2
Molecular Weight: 330.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc(-n2ccnc2)cc1)C(=O)c1c[nH]c2ccccc12
Standard InChI: InChI=1S/C19H14N4O2/c24-18(16-11-21-17-4-2-1-3-15(16)17)19(25)22-13-5-7-14(8-6-13)23-10-9-20-12-23/h1-12,21H,(H,22,25)
Standard InChI Key: RFJSLRZGYCRKKG-UHFFFAOYSA-N
Associated Targets(non-human)
ScN2a 522 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: 330.35 | Molecular Weight (Monoisotopic): 330.1117 | AlogP: 3.17 | #Rotatable Bonds: 4 |
| Polar Surface Area: 79.78 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.96 | CX Basic pKa: 6.05 | CX LogP: 2.79 | CX LogD: 2.77 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.45 | Np Likeness Score: -1.65 |
References
| 1. Thompson MJ, Louth JC, Ferrara S, Jackson MP, Sorrell FJ, Cochrane EJ, Gever J, Baxendale S, Silber BM, Roehl HH, Chen B.. (2011) Discovery of 6-substituted indole-3-glyoxylamides as lead antiprion agents with enhanced cell line activity, improved microsomal stability and low toxicity., 46 (9): [PMID:21726921] [10.1016/j.ejmech.2011.06.013] |
Source
Source(1):