| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA344694
Max Phase: Preclinical
Molecular Formula: C5H7N3Na2O4
Molecular Weight: 175.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C([O-])[C@H]1CCCN1/[N+]([O-])=N/[O-].[Na+].[Na+]
Standard InChI: InChI=1S/C5H9N3O4.2Na/c9-5(10)4-2-1-3-7(4)8(12)6-11;;/h4,11H,1-3H2,(H,9,10);;/q;2*+1/p-2/b8-6-;;/t4-;;/m1../s1
Standard InChI Key: BWIOFDWWAQUTIZ-HOYNHVRTSA-L
Associated Targets(non-human)
Ovis aries 854 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: 175.14 | Molecular Weight (Monoisotopic): 175.0593 | AlogP: -0.20 | #Rotatable Bonds: 2 |
| Polar Surface Area: 99.20 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.50 | CX Basic pKa: | CX LogP: -3.27 | CX LogD: -4.55 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.34 | Np Likeness Score: 0.13 |
References
| 1. Saavedra JE, Southan GJ, Davies KM, Lundell A, Markou C, Hanson SR, Adrie C, Hurford WE, Zapol WM, Keefer LK.. (1996) Localizing antithrombotic and vasodilatory activity with a novel, ultrafast nitric oxide donor., 39 (22): [PMID:8893830] [10.1021/jm960616s] |
Source
Source(1):