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7 Drugs in Development

7 Drugs in Development

Synopsis

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Chemistry

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Also known as: 1268454-23-4, Mln1117, Mln-1117, Ink1117, Ink-1117, Agn-pc-0db6fl

Molecular Formula

C₁₉H₁₇N₅O₃

Molecular Weight

363.4 g/mol

InChI Key

BLGWHBSBBJNKJO-UHFFFAOYSA-N

FDA UNII

43J9Q56T3W

an investigational PI3Kalpha-selective inhibitor

1 2D Structure

Serabelisib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

2.1.2 InChI

InChI=1S/C19H17N5O3/c20-19-22-14-9-12(1-3-16(14)27-19)13-2-4-17-21-10-15(24(17)11-13)18(25)23-5-7-26-8-6-23/h1-4,9-11H,5-8H2,(H2,20,22)

2.1.3 InChI Key

BLGWHBSBBJNKJO-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

43J9Q56T3W

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (6-(2-amino-1,3-benzoxazol-5-yl)imidazo(1,2-a)pyridin-3-yl)(4-morpholinyl)methanone

2. Tak-117

3. Ink1117

4. Mln1117

2.3.2 Depositor-Supplied Synonyms

1. 1268454-23-4

2. Mln1117

3. Mln-1117

4. Ink1117

5. Ink-1117

6. Agn-pc-0db6fl

7. Tak-117

8. [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone

9. Methanone, [6-(2-amino-5-benzoxazolyl)imidazo[1,2-a]pyridin-3-yl]-4-morpholinyl-

10. 43j9q56t3w

11. 5-[3-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]-1,3-benzoxazol-2-amine

12. (6-(2-amino-5-benzoxazolyl)imidazo(1,2-a)pyridin-3-yl)-4-morpholinylmethanone

13. Methanone, (6-(2-amino-5-benzoxazolyl)imidazo(1,2-a)pyridin-3-yl)-4-morpholinyl-

14. (6-(2-amino-1,3-benzoxazol-5-yl)imidazo(1,2-a)pyridin-3-yl)(4-morpholinyl)methanone

15. Serabelisibum

16. (6-(2-amino-1,3-benzoxazol-5-yl)imidazo(1,2-a)pyridin-3-yl)-morpholin-4-ylmethanone

17. [6-(2-amino-5-benzoxazolyl)imidazo[1,2-a]pyridin-3-yl]-4-morpholinylmethanone

18. 5-(3-(morpholine-4-carbonyl)imidazo(1,2-a)pyridin-6-yl)-1,3-benzoxazol-2-amine

19. Refchem:182491

20. Tak 117

21. (6-(2-aminobenzo[d]oxazol-5-yl)imidazo[1,2-a]pyridin-3-yl)(morpholino)methanone

22. Serabelisib [inn]

23. Mfcd15146372

24. Mln 1117

25. [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-morpholino-methanone

26. [6-(2-amino-5-benzoxazolyl)imidazo[1,2-a]pyridin-3-yl]-4-morpholinyl-methanone

27. Unii-43j9q56t3w

28. C19h17n5o3

29. Serabelisib [who-dd]

30. Gtpl8969

31. Orb1304485

32. Chembl3935857

33. Schembl12928418

34. Schembl29382156

35. Bdbm119531

36. Ex-a1112

37. Ink 1117

38. Mln1117; Ink1117

39. Nsc795384

40. S8581

41. Akos030526373

42. Ccg-268203

43. Cs-5490

44. Db14935

45. Ebc-520105

46. Nsc-795384

47. 1428967-74-1

48. Ac-33667

49. As-73722

50. Hy-12285

51. Db-084944

52. Ink-1117,mln-1117,tak-117

53. Serabelisib(tak-117,ink1117,mln1117)

54. Serabelisib(tak-117,ink1117,mln1117)?

55. Us9682141, 54

56. Serabelisib (ink-1117,mln-1117,tak-117)

57. Us9682141, 529

58. Brd-k73877023-001-01-9

59. Q27078071

2.4 Create Date

2013-03-21

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₇N₅O₃
Molecular Weight	363.4 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	98.9
Heavy Atom Count	27
Formal Charge	0
Complexity	557
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 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.

Drugs in Development

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7 Drugs in Development

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7DRUGS IN DEVELOPMENT

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