ChemAxon Metabolizer Human Phase I Metabolism Library

There are 159 schemes included in the default library for ChemAxon’s Metabolizer application (discontinued as of July 2016).

1. 1-Hydroxylation

2. 2-Hydroxylation

3. AcetalDealkylation

4. AcetalHydrolysis

5. AglyconeReduction

6. AldehydeOxidation

7. AldehydeReduction

8. AliphaticEpoxidation

9. AliphaticHydroxylation

10. AlkenolCyclization

11. AlkenyloxiraneHydrolysis

12. AlkoxyphenolOxidation

13. AlkyldihydropyridineDehydrogenation

14. AllylicHydroxylation

15. AmideDealkylation

16. AmideHydrolysis

17. AmidineDealkylation

18. AminoethylanilineCyclization

19. AminolactoneHydrolysis

20. AminooxazoleOpening

21. AminophenolOxidation

22. AnilineHydroxylation

23. Aromatic N-Dealkylation

24. Aromatic N-Oxidation

25. AromaticAminoAcidDecarboxylation

26. AromaticEpoxidation

27. AromaticHydroxylation

28. AromaticSulfoxidation

29. AziridineReduction

30. AzoOxidation

31. BenzhydrylamineDehydrogenation

32. BenzodiazepineHydroxylation

33. BenzylicHydroxylation

34. BetaOxidation

35. CarbamateEsterHydrolysis

36. CarbamateHydrolysis

37. CarbonateHydrolysis

38. CarbonylAlphaHydroxylation

39. CarboxycyclohexanoneOpening

40. CatecholOxidation

41. ChloroethylureaCyclization

42. CoumarinEpoxidation

43. CoumarinHydrolysis

44. CoumarinHydroxylation

45. CoumarinOpening

46. CyanohydrinCleavage

47. CycloallylamineDehydrogenation

48. Deamination

49. Deboronation

50. Decarboxylation

51. Dehalogenation

52. Dehydration

53. Dehydrogenation

54. Denitrosation

55. DihydrodiclDehydrogenation

56. DihydrofuranEpoxidation

57. DihydropyridineDealkylation

58. DihydropyridineDehydrogenation

59. DihydrothiopheneHydroxylation

60. DisulfideReduction

61. EpoxideHydration

62. EpoxideRearrangement

63. EsterHydrolysis

64. FuranHydrolysis

65. FuranHydroxylation

66. FuranolRearrangement

67. HaloalkenylOxidation

68. HaloalkylOxidation

69. Hemiaminal N-Oxidation

70. HemiaminalCleavage

71. HemiaminalDehydration

72. HemiaminalOxidation

73. HydrateDehydration

74. HydrazineDehydrogenation

75. HydrazoneAzoT automerization

76. Hydrogenation

77. HydroquinoneOxidation

78. HydroxyAlphaHydroxylation

79. HydroxyBetaHydroxylation

80. HydroxylamineReduction

81. HydroxynitrosamineCleavage

82. ImidicacidAmideTautomerization

83. ImineHydrolysis

84. ImineReduction

85. IndoleHydroxylation

86. IndoleOpening

87. IsothiazoleOxidation

88. IsothioureaHydrolysis

89. IsoxazoleOpening

90. KetoneReduction

91. KynurenineCleavage

92. KynurenineCyclization

93. LactamHydrolysis

94. Lactamization

95. LactoneHydrolysis

96. Lactonization

97. MethyloximeDemethylation

98. MonoAmineOxidation

99. MorpholineOpening

100. MorpholineOxidation

101. N-AlphaHydroxylation

102. N-AlphaOxidation

103. N-BetaHydroxylation

104. N-Dealkylation

105. N-Hydroxylation

106. NIH Shift

107. NitroReduction

108. NitrosoReduction

109. N-Oxidation

110. N-OxideReduction

111. OctahydroquinolinolCyclization

112. O-Dealkylation

113. OxadiazoleOpening

114. OxidativeDehalogenation

115. OximeHydrolysis

116. OxoquinolineHydroxylation

117. PhenolHydroxylation

118. PhenylglycolCleavage

119. PhenylHydroxylation

120. PhosphamideDealkylation

121. PhosphateesterHydrolysis

122. PiperazineOpening

123. PiperidineHydroxylation

124. PiperidinolOpening

125. PrimaryAlcoholOxidation

126. PyrazineHydroxylation

127. PyrazoleHydroxylation

128. PyridineHydroxylation

129. PyridineOrthoOxidation

130. PyridineParaOxidation

131. PyrimidineHydroxylation

132. PyrroleEpoxidation

133. PyruvateDecarboxylation

134. PyruvateReduction

135. QuinolizidineDehydrogenation

136. ReductiveDeamination

137. ReductiveIsoxazoleOpening

138. ReverseTransamination

139. SecondaryAlcoholOxidation

140. StatinIsomerisation

141. SulfenicacidDesulfurization

142. SulfiteOxidation

143. SulfonamideDealkylation

144. Sulfoxidation

145. SulfoxideOxidation

146. TetrahydrofuranHydroxylation

147. ThiadiazoleOxidation

148. ThienolOxoTautomerization

149. ThienolTautomerization

150. ThioamideDesulfurization

151. ThioesterHydrolysis

152. ThioesteroxideHydrolysis

153. ThiolElimination

154. ThiopheneHydroxylation

154. ThiopheneHydroxylation

155. ThiophosphonateDesulfurization

156. Transamination

157. TrifluoromethoxyHydrolysis

158. UracilHydrogenation

159. XanthineOxidation