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Su 5416
Also known as: Semaxinib, Su5416, 204005-46-9, Su 5416, 194413-58-6, Su-5416
Molecular Formula
C15H14N2O
Molecular Weight
238.28  g/mol
InChI Key
WUWDLXZGHZSWQZ-WQLSENKSSA-N
FDA UNII
71IA9S35AJ

1 2D Structure

Su 5416

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
2.1.2 InChI
InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
2.1.3 InChI Key
WUWDLXZGHZSWQZ-WQLSENKSSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C
2.1.5 Isomeric SMILES
CC1=CC(=C(N1)/C=C\2/C3=CC=CC=C3NC2=O)C
2.2 Other Identifiers
2.2.1 UNII
71IA9S35AJ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-(2,4-dimethylpyrrol-5-yl)methylidene-indolin-2-one

2. Semaxinib

3. Su 5416

4. Su-5416

5. Su5416

6. Sugen 5416

2.3.2 Depositor-Supplied Synonyms

1. Semaxinib

2. Su5416

3. 204005-46-9

4. Su 5416

5. 194413-58-6

6. Su-5416

7. Semoxind

8. Semaxanib (su5416)

9. Tsu 16

10. Z-semaxanib

11. Nsc-696819

12. Vegfr2 Kinase Inhibitor Iii

13. (z)-3-((3,5-dimethyl-1h-pyrrol-2-yl)methylene)indolin-2-one

14. (3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1h-indol-2-one

15. (z)-su 5416

16. 71ia9s35aj

17. Chembl276711

18. (3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one

19. 3-(1-(3,5-dimethyl-1h-pyrrol-2-yl)meth-(z)-ylidene)-2-oxo-2,3-dihydroindole

20. 3-((z)-(3,5-dimethylpyrrol-2-yl)methylene)-2-indolinone

21. Su005416

22. Semaxnib

23. Sugen 5416

24. 3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-1,3-dihydro-2h-indol-2-one

25. (3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylidene]-2,3-dihydro-1h-indol-2-one

26. Semaxanib [inn]

27. Semaxanib(su5416)

28. Smr000568416

29. Vegf Receptor 2 Kinase Inhibitor Iii

30. Tsu-16

31. Sr-01000076044

32. Semaxanib (usan/inn)

33. Semaxanib [usan:inn]

34. Methylene]-2h-indol-2-one

35. Unii-71ia9s35aj

36. (3z)-3-((3,5-dimethyl-1h-pyrrol-2-yl)methylidene)-1,3-dihydro-2h-indol-2-one

37. (z)-semaxanib

38. (z)-semaxinib

39. Ncgc00094381-03

40. 3-(2,4-dimethylpyrrol-5-yl)methylidene-indolin-2-one

41. Nsc 696819

42. 2x2m

43. Semaxanib; Su5416

44. Semaxanib [usan]

45. Semaxanib [mart.]

46. H-indol-2-one, 3-((3,5-dimethyl-1h-pyrrol-2-yl)methylene)-1,3-dihydro-

47. S 8442

48. Schembl8190

49. Semaxanib [who-dd]

50. Lopac0_001110

51. Schembl19571

52. 1,3-dihydro-3-[(3,5-dimethyl-1h-pyrrol-2-yl)

53. Mls001074896

54. Mls001332519

55. Mls001332520

56. Bdbm4810

57. Gtpl5056

58. 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]indolin-2-one

59. Chebi:91083

60. Cid_5329098

61. 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]-indolin-2-one

62. Bdbm497339

63. Dtxsid801025708

64. Hms2234l12

65. Hms3229o13

66. Hms3263m22

67. Hms3268j13

68. Hms3413h10

69. Hms3648o12

70. Hms3677h10

71. (3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]indolin-2-one

72. Amy10847

73. Bcp06068

74. Ex-a2158

75. Tox21 111271

76. Tox21_501110

77. Hsci1_000303

78. Mfcd09763655

79. Nsc696819

80. S2845

81. Su5146

82. Zinc12410091

83. Akos015994557

84. Ccg-205186

85. Cs-1225

86. Db06436

87. Es-0010

88. Lp01110

89. Sdccgsbi-0051079.p003

90. Us11001595, Compound Su5416

91. Ncgc00094381-01

92. Ncgc00094381-02

93. Ncgc00094381-04

94. Ncgc00094381-05

95. Ncgc00094381-19

96. Ncgc00261795-01

97. Ac-35250

98. Hy-10374

99. Eu-0101110

100. Sw219791-1

101. D05819

102. N11132

103. A857052

104. A899499

105. 2h-indol-2-one,5-dimethyl-2-pyrrolyl)methylene]-

106. J-013281

107. Q7449140

108. Sr-01000076044-2

109. Sr-01000076044-8

110. Brd-k63504947-001-05-5

111. 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]-2-indolinon

112. 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]-2-indolinone

113. 3-((3,5-dimethyl-1h-pyrrol-2-yl)methylene)indolin-2-one

114. Semaxanib, Semoxind, Tsu-16, Nsc-696819, Su-5416

115. 3-[(3,5-dimethyl-2h-pyrrol-2-ylidene)methyl]-1h-indol-2-ol

116. 3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]-1,3-dihydro- 2h-indol-2-one

117. 3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]-1,3-dihydro-2h-indol-2-one

118. (3z)-3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]-1,3-dihydro-2h-indol-2-one

119. 2h-indol-2-one, 3-((3,5-dimethyl-1h-pyrrol-2-yl)methylene)-1,3-dihydro-, (3z)-

120. 2h-indol-2-one, 3-((3,5-dimethyl-1h-pyrrol-2-yl)methylene)-1,3-dihydro-, (z)-

121. 2h-indol-2-one, 3-(3,5-dimethyl-1h-pyrrol-2-yl)methylene)- 1,3-dihydro-, (z)-

122. 2h-indol-2-one, 3-(3,5-dimethyl-1h-pyrrol-2-yl)methylene)- 1,3-dihydro-,(z)-

123. 2h-indol-2-one,3-[(3,5-dimethyl-1h-pyrrol-2-yl)methylene]-1,3-dihydro-, (3z)-

124. 3-[1-(3,5-dimethyl-1h-pyrrol-2-yl)-meth-(z)-ylidene]-2-oxo-2,3-dihydro-indole

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 238.28 g/mol
Molecular Formula C15H14N2O
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass238.110613074 g/mol
Monoisotopic Mass238.110613074 g/mol
Topological Polar Surface Area44.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Investigated for use/treatment in colorectal cancer and lung cancer.


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Angiogenesis Inhibitors

Agents and endogenous substances that antagonize or inhibit the development of new blood vessels. (See all compounds classified as Angiogenesis Inhibitors.)


Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)


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