ID: ALA136478

Max Phase: Approved

First Approval: 1981

Molecular Formula: C5FeN6Na2O

Molecular Weight: 215.94

Molecule Type: Small molecule

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: Yes

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: Yes

Chirality: Yes

Availability: Yes

Prodrug: No

Properties

Molecular Weight: 215.94

Molecular Weight (Monoisotopic): 215.9494

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. Calvino R, Fruttero R, Ghigo D, Bosia A, Pescarmona GP, Gasco A..  (1992)  4-Methyl-3-(arylsulfonyl)furoxans: a new class of potent inhibitors of platelet aggregation.,  35  (17): [PMID:1324320] [10.1021/jm00095a028]

2. Saavedra JE, Southan GJ, Davies KM, Lundell A, Markou C, Hanson SR, Adrie C, Hurford WE, Zapol WM, Keefer LK..  (1996)  Localizing antithrombotic and vasodilatory activity with a novel, ultrafast nitric oxide donor.,  39  (22): [PMID:8893830] [10.1021/jm960616s]

3. Sorba G, Medana C, Fruttero R, Cena C, Di Stilo A, Galli U, Gasco A..  (1997)  Water soluble furoxan derivatives as NO prodrugs.,  40  (4): [PMID:9046336] [10.1021/jm960379t]

4. Fruttero R, Boschi D, Di Stilo A, Gasco A..  (1995)  The furoxan system as a useful tool for balancing "hybrids" with mixed alpha 1-antagonist and NO-like vasodilator activities.,  38  (25): [PMID:8523408] [10.1021/jm00025a012]

5. Lien JC, Lee FY, Huang LJ, Pan SL, Guh JH, Teng CM, Kuo SC..  (2002)  1-Benzyl-3-(5'-hydroxymethyl-2'-furyl)indazole (YC-1) derivatives as novel inhibitors against sodium nitroprusside-induced apoptosis.,  45  (23): [PMID:12408703] [10.1021/jm020070b]

6. Ito S, Ando S, Yamaguchi K, Funayama N, Yamamoto T, Kuroiwa Y, Kubota T, Komoda Y.  (1993)  Preparation and evaluation of the antiaggregating and vasodilating activities of the novel 3-nitro-4(3H)-quinazolinone derivatives,  3  (4): [10.1016/S0960-894X(01)81239-7]

7. Unpublished dataset, 

8. Scott S. Auerbach, DrugMatrix¨ and ToxFX¨ Coordinator National Toxicology Program. DrugMatrix in vitro pharmacology data, 

9. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 

10. Biour M, Ben Salem C, Chazouillères O, Grangé JD, Serfaty L, Poupon R..  (2004)  [Drug-induced liver injury; fourteenth updated edition of the bibliographic database of liver injuries and related drugs].,  28  (8-9): [PMID:15646539] [10.1016/s0399-8320(04)95062-2]

11. British National Formulary (72nd edition), 

12. DrugMatrix,  [10.6019/CHEMBL3885881]

13. Unpublished dataset, 

Source

Source(6):

• Scientific Literature
• Clinical Candidates
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• USP Dictionary of USAN and International Drug Names
• DrugMatrix
• British National Formulary