ID: ALA112302

Max Phase: Phase

Molecular Formula: Na2O3Se

Molecular Weight: 128.97

Molecule Type: Small molecule

Representations

Synonyms (7): Disodium selenite | Selenious acid disodium salt | Selenious acid, disodium salt | Selenious acid, sodium salt (1:2) | Sodium selenite | Sodium selenite anhydrous | NSC-347466
Synonyms from Alternative Forms(7):

Canonical SMILES:  O=[Se]([O-])[O-].[Na+].[Na+]

Standard InChI:  InChI=1S/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2

Standard InChI Key:  BVTBRVFYZUCAKH-UHFFFAOYSA-L

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: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 128.97

Molecular Weight (Monoisotopic): 129.9169

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Short MD, Xie Y, Li L, Cassidy PB, Roberts JC..  (2003)  Characteristics of selenazolidine prodrugs of selenocysteine: toxicity and glutathione peroxidase induction in V79 cells.,  46  (15): [PMID:12852761] [10.1021/jm020496q]

2. Roy SS, Ghosh P, Sk UH, Chakraborty P, Biswas J, Mandal S, Bhattacharjee A, Bhattacharya S..  (2010)  Naphthalimide based novel organoselenocyanates: finding less toxic forms of selenium that would retain protective efficacy.,  20  (23): [PMID:20971640] [10.1016/j.bmcl.2010.09.127]

3. Pedrero Z, Madrid Y, Hartikainen H, Cámara C..  (2008)  Protective effect of selenium in Broccoli (Brassica oleracea) plants subjected to cadmium exposure.,  56  (1): [PMID:18044833] [10.1021/jf072266w]

4. PubChem BioAssay data set, 

5. Arsenyan P, Paegle E, Domracheva I, Gulbe A, Kanepe-Lapsa I, Shestakova I..  (2014)  Selenium analogues of raloxifene as promising antiproliferative agents in treatment of breast cancer.,  87  [PMID:25282270] [10.1016/j.ejmech.2014.09.088]

6. WHO Anatomical Therapeutic Chemical Classification, 

7. DrugMatrix,  [10.6019/CHEMBL3885881]

8. Unpublished dataset, 

9. Salehian F, Nadri H, Jalili-Baleh L, Youseftabar-Miri L, Abbas Bukhari SN, Foroumadi A, Tüylü Küçükkilinç T, Sharifzadeh M, Khoobi M..  (2021)  A review: Biologically active 3,4-heterocycle-fused coumarins.,  212  [PMID:33276991] [10.1016/j.ejmech.2020.113034]

Source

Source(5):

• Scientific Literature
• PubChem BioAssays
• Clinical Candidates
• DrugMatrix
• WHO Anatomical Therapeutic Chemical Classification