ID: ALA186200

Max Phase: Preclinical

Molecular Formula: NO3-

Molecular Weight: 62.00

Molecule Type: Small molecule

Representations

Canonical SMILES:  O=[N+]([O-])[O-]

Standard InChI:  InChI=1S/NO3/c2-1(3)4/q-1

Standard InChI Key:  NHNBFGGVMKEFGY-UHFFFAOYSA-N

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

Properties

Molecular Weight: 62.00

Molecular Weight (Monoisotopic): 61.9884

AlogP: -0.24

#Rotatable Bonds: 0

Polar Surface Area: 66.20

Molecular Species:

HBA: 3

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 4

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: -2.57

CX LogD: -2.57

Aromatic Rings: 0

Heavy Atoms: 4

QED Weighted: 0.29

Np Likeness Score: -1.16

References

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, 

Source

Source(2):

• Scientific Literature
• Patent Bioactivity Data