NITRIC OXIDE

ID: ALA1200689

Chembl Id: CHEMBL1200689

Cas Number: 10102-43-9

PubChem CID: 145068

Max Phase: Approved

First Approval: 1999

Molecular Formula: NO

Molecular Weight: 30.01

Molecule Type: Small molecule

Names and Identifiers

Synonyms: Amidogen, oxo- | Inovent | Nitric oxide | Nitric oxide trimer | Nitrogen oxide (no) | Nitrosyl radical | OHM-11771 | nitric oxide|nitrogen monoxide|Mononitrogen monoxide|INOmax|10102-43-9|Nitrosyl radical|Amidogen, oxo-|Nitrogen oxide (NO)|nitrosyl|Nitric oxide trimer|monoxyde d'azote|nitrogen monooxide|oxoazanyl|Inovent|oxyde azotique|oxyde nitrique|oxido nitrico|Stickstoffmonoxid|monoxido de nitrogeno|EDRF|Stickstoff(II)-oxid|oxido de nitrogeno(II)|oxidonitrogen(.)|GENOSYL|CCRIS 4319|CHEBI:164Show More⌵

Trade Names(2): Genosyl | Inomax

Canonical SMILES:  [N]=O

Standard InChI:  InChI=1S/NO/c1-2

Standard InChI Key:  MWUXSHHQAYIFBG-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA1200689

   NITRIC OXIDE

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: Yes

First In Class: No

Black Box: No

Chirality: Yes

Availability: Yes

Prodrug: No

Calculated Properties

Molecular Weight: 30.01

Molecular Weight (Monoisotopic): 29.9980

AlogP: -0.45

#Rotatable Bonds: 0

Polar Surface Area: 39.37

Molecular Species: NEUTRAL

HBA: 1

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 2

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa:

CX LogP: -0.35

CX LogD: -0.35

Aromatic Rings: 0

Heavy Atoms: 2

QED Weighted: 0.36

Np Likeness Score: -0.58

References

1. Unpublished dataset, 

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]

3. Liu Z, Shi Q, Ding D, Kelly R, Fang H, Tong W..  (2011)  Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).,  7  (12): [PMID:22194678] [10.1371/journal.pcbi.1002310]

4. WHO Anatomical Therapeutic Chemical Classification, 

5. Unpublished dataset, 

6. Unpublished dataset, 

7. European Medicines Agency, 

Source

Source(6):

• Scientific Literature
• Clinical Candidates
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• WHO Anatomical Therapeutic Chemical Classification
• Active Ingredient of a Prodrug
• European Medicines Agency