ID: ALA186200
Chembl Id: CHEMBL186200
Cas Number: 14797-55-8
PubChem CID: 943
Max Phase: Preclinical
Molecular Formula: NO3-
Molecular Weight: 62.00
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=[N+]([O-])[O-]
Standard InChI: InChI=1S/NO3/c2-1(3)4/q-1
Standard InChI Key: NHNBFGGVMKEFGY-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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: 62.00 | Molecular Weight (Monoisotopic): 61.9884 | AlogP: -0.24 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 66.20 | Molecular Species: ┄ | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: -2.57 | CX LogD: -2.57 |
| Aromatic Rings: ┄ | Heavy Atoms: 4 | QED Weighted: 0.29 | Np Likeness Score: -1.16 |
| 1. Cincinelli A, Martellini T, Vullo D, Supuran CT.. (2015) Anion and sulfonamide inhibition studies of an α-carbonic anhydrase from the Antarctic hemoglobinless fish Chionodraco hamatus., 25 (23): [PMID:26525863] [10.1016/j.bmcl.2015.10.074] |
| 2. Vullo D, Del Prete S, De Luca V, Carginale V, Ferraroni M, Dedeoglu N, Osman SM, AlOthman Z, Capasso C, Supuran CT.. (2016) Anion inhibition studies of the β-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae., 26 (5): [PMID:26853167] [10.1016/j.bmcl.2016.01.072] |
| 3. Del Prete S, Vullo D, De Luca V, Carginale V, di Fonzo P, Osman SM, AlOthman Z, Supuran CT, Capasso C.. (2016) Anion inhibition profiles of α-, β- and γ-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae., 24 (16): [PMID:27283786] [10.1016/j.bmc.2016.05.029] |
| 4. (2014) Heterocyclic compounds as inhibitors of the sodium iodide symporter, |
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