ID: ALA1234886
Chembl Id: CHEMBL1234886
Cas Number: 7782-44-7
PubChem CID: 977
Max Phase: Approved
First Approval: 2006
Molecular Formula: O2
Molecular Weight: 32.00
Molecule Type: Small molecule
Associated Items:
Synonyms: Show More⌵
Trade Names(1): Medicinal oxygen air liquide sante
Canonical SMILES: O=O
Standard InChI: InChI=1S/O2/c1-2
Standard InChI Key: MYMOFIZGZYHOMD-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 32.00 | Molecular Weight (Monoisotopic): 31.9898 | AlogP: 0.07 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 34.14 | Molecular Species: ┄ | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: -0.28 | CX LogD: -0.28 |
| Aromatic Rings: ┄ | Heavy Atoms: 2 | QED Weighted: 0.38 | Np Likeness Score: -0.03 |
| 1. Ozer A, Bruick RK.. (2007) Non-heme dioxygenases: cellular sensors and regulators jelly rolled into one?, 3 (3): [PMID:17301803] [10.1038/nchembio863] |
| 2. Abraham MH, Ibrahim A, Acree WE.. (2008) Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs., 43 (3): [PMID:17544548] [10.1016/j.ejmech.2007.04.002] |
| 3. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, |
| 4. Unpublished dataset, |
| 5. WHO Anatomical Therapeutic Chemical Classification, |
| 6. British National Formulary (72nd edition), |
| 7. Unpublished dataset, |
| 8. European Medicines Agency, |
Source(7):
