Venglustat

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Also known as: Ibiglustat, 1401090-53-6, Genz-682452, Sar402671, Gz/sar402671, Genz-682452-aa

Molecular Formula

C₂₀H₂₄FN₃O₂S

Molecular Weight

389.5 g/mol

InChI Key

YFHRCLAKZBDRHN-MRXNPFEDSA-N

FDA UNII

BLP1XA3FZA

Venglustat is under investigation in clinical trial NCT01674036 (Safety, Tolerability and Pharmacokinetics of Genz-682452 in Healthy Men).

1 2D Structure

Venglustat

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate

2.1.2 InChI

InChI=1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1

2.1.3 InChI Key

YFHRCLAKZBDRHN-MRXNPFEDSA-N

2.1.4 Canonical SMILES

CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)OC3CN4CCC3CC4

2.1.5 Isomeric SMILES

CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)O[C@@H]3CN4CCC3CC4

2.2 Other Identifiers

2.2.1 UNII

BLP1XA3FZA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Genz-682452

2. Gz-sar402671

3. Ibiglustat

2.3.2 Depositor-Supplied Synonyms

1. Ibiglustat

2. 1401090-53-6

3. Genz-682452

4. Sar402671

5. Gz/sar402671

6. Genz-682452-aa

7. Venglustat [usan]

8. Gz402671

9. Blp1xa3fza

10. (s)-quinuclidin-3-yl (2-(2-(4-fluorophenyl)thiazol-4-yl)propan-2-yl)carbamate

11. Sar-402671

12. [(3s)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate

13. Gz-402671

14. (3s)-1-azabicyclo(2.2.2)octan-3-yl N-(2-(2-(4-fluorophenyl)-1,3-thiazol-4-yl)propan-2-yl)carbamate

15. Carbamic Acid, N-(1-(2-(4-fluorophenyl)-4-thiazolyl)-1-methylethyl)-, (3s)-1-azabicyclo(2.2.2)oct-3-yl Ester

16. Carbamic Acid, N-[1-[2-(4-fluorophenyl)-4-thiazolyl]-1-methylethyl]-, (3s)-1-azabicyclo[2.2.2]oct-3-yl Ester

17. Ibiglustat [inn]

18. Unii-blp1xa3fza

19. Venglustat [inn]

20. Venglustat (usan/inn)

21. Ibiglustat(genz-682452

22. Venglustat [who-dd]

23. Chembl4297611

24. Schembl12615329

25. Gtpl11550

26. Gz/sar-402671

27. Amy19519

28. Bgc09053

29. Ex-a1870

30. Mfcd28502073

31. Who 10063

32. Akos027337125

33. Zinc202143443

34. Cs-6512

35. Db14966

36. Ac-35551

37. As-52367

38. Hy-16743

39. D11633

40. P14969

41. Q27274745

42. (s)-quinuclidin-3-yl 2-(2-(4-fluorophenyl)thiazol-4-yl)propan-2-ylcarbamate

43. (s)-quinuclidin-3-yl(2-(2-(4-fluorophenyl)thiazol-4-yl)propan-2-yl)carbamate

2.4 Create Date

2012-10-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄FN₃O₂S
Molecular Weight	389.5 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	389.15732635 g/mol
Monoisotopic Mass	389.15732635 g/mol
Topological Polar Surface Area	82.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	533
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Treatment of polycystic kidney disease

Treatment of Parkinson's disease

Treatment of autosomal dominant polycystic kidney disease

Treatment of galactosialidosis, Treatment of GM1 gangliosidosis, Treatment of GM2 gangliosidosis, Treatment of sialidosis

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)