| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA305741
Max Phase: Preclinical
Molecular Formula: C5H4N4O2
Molecular Weight: 152.11
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#[N+]c1nccn1CC(=O)[O-]
Standard InChI: InChI=1S/C5H4N4O2/c6-8-5-7-1-2-9(5)3-4(10)11/h1-2H,3H2
Standard InChI Key: GFVFMGWLKNCQHH-UHFFFAOYSA-N
Associated Targets(non-human)
Gabrg1 GABA receptor gamma-1 subunit (26 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: 152.11 | Molecular Weight (Monoisotopic): 152.0334 | AlogP: -0.88 | #Rotatable Bonds: 2 |
| Polar Surface Area: 86.10 | Molecular Species: ACID | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.52 | CX Basic pKa: | CX LogP: 0.08 | CX LogD: 0.85 |
| Aromatic Rings: 1 | Heavy Atoms: 11 | QED Weighted: 0.51 | Np Likeness Score: -1.03 |
References
| 1. Bouchet MJ, Rendon A, Wermuth CG, Goeldner M, Hirth C.. (1987) Aryl diazo compounds and diazonium salts as potential irreversible probes of the gamma-aminobutyric acid receptor., 30 (12): [PMID:2824775] [10.1021/jm00395a008] |
Source
Source(1):