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Methotrexate
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NAMES
  • Abitrexate
  • Amethopterin
  • CL-14377
  • Ebetrex
  • Emtexate High-Pot
  • Emtexate PF
  • Folex
  • Maxtrex
  • Methotrexate
  • Methylaminopterin
  • Metoject
  • Mexate
  • Mexate-AQ
  • MTX
  • Otrexup
  • Otrexup pfs
  • Rasuvo
  • Rheumatrex
  • TCMDC-123832
  • TCMDC-125488
  • TCMDC-125858
  • Trexall
  • Zlatal
SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
InChI
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
MOLECULAR FORMULA
C20H22N8O5
CROSS REFERENCES

Methotrexate - target affinity plot

*Select a region to zoom

Methotrexate - target affinity table

ProteinProtein familyMean PotencyMost Potent ValueLeast Potent ValueSample count
folA folAdihydrofolate reductase family. 12.58 nM 0 nM 55 nM 33
Dhfr Dhfrdihydrofolate reductase family. 147.06 nM 0 nM 3,900 nM 29
DHFR DHFRdihydrofolate reductase family. 93.05 nM 0 nM 4,420 nM 84
thyA thyAthymidylate synthase family. Bacterial-type ThyA subfamily. 143,727.27 nM 0 nM 600,000 nM 11
folA folAdihydrofolate reductase family. 0.5 nM 0 nM 1 nM 2
null DYRdihydrofolate reductase family. 75.34 nM 0.01 nM 880 nM 12
Dhfr Dhfrdihydrofolate reductase family. 2.47 nM 0.07 nM 4.6 nM 12
null 0.13 nM 0.13 nM 0.13 nM 1
folA folAdihydrofolate reductase family. 5.8 nM 1 nM 8.8 nM 6
null 3,640.43 nM 1.4 nM 18,000 nM 29