ID: ALA1794794
Chembl Id: CHEMBL1794794
Cas Number: 14691-52-2
PubChem CID: 123349
Max Phase: Preclinical
Molecular Formula: HNO3
Molecular Weight: 63.01
Molecule Type: Small molecule
Associated Items:
Synonyms: Peroxynitrite | Peroxynitrous acid|hydroxy nitrite|14691-52-2|CHEBI:25942|azoperoxous acid|t,perp-HOONO|Acid, Peroxynitrous|nitroperoxous acid|(-)Oxoperoxonitrate|HOONO|dioxidanidooxidonitrogen|(1-)oxidoperoxidonitrate|(dioxidanido)oxidonitrogen|HNO(O2)|[NO(OOH)]|CHEMBL1794794|DTXSID00163543|Peroxynitrous acid,sodium salt (9CI)|AKOS015910235|Q7169514|Q27110016
Canonical SMILES: O=NOO
Standard InChI: InChI=1S/HNO3/c2-1-4-3/h3H
Standard InChI Key: CMFNMSMUKZHDEY-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 63.01 | Molecular Weight (Monoisotopic): 62.9956 | AlogP: 0.16 | #Rotatable Bonds: 1 |
| Polar Surface Area: 58.89 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 6.55 | CX Basic pKa: ┄ | CX LogP: 0.32 | CX LogD: -0.57 |
| Aromatic Rings: ┄ | Heavy Atoms: 4 | QED Weighted: 0.27 | Np Likeness Score: 0.97 |
| 1. Fontana E, Dansette PM, Poli SM.. (2005) Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity., 6 (1): [PMID:16248836] [10.2174/138920005774330639] |
| 2. Fontana E, Dansette PM, Poli SM.. (2005) Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity., 6 (1): [PMID:16248836] [10.2174/138920005774330639] |
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