Detailed information for compound 107688

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 452.463 | Formula: C22H24N6O5
  • H donors: 5 H acceptors: 7 LogP: 1.22 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CN(c1ccc2c(c1)c(N)nc(n2)N)C
  • InChi: 1S/C22H24N6O5/c1-28(14-6-7-16-15(10-14)19(23)27-22(24)26-16)11-12-2-4-13(5-3-12)20(31)25-17(21(32)33)8-9-18(29)30/h2-7,10,17H,8-9,11H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,23,24,26,27)
  • InChiKey: MBAXRIPJWOAPEZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dihydrofolate reductase Starlite/ChEMBL References
Mus musculus thymidylate synthase Starlite/ChEMBL References
Homo sapiens dihydrofolate reductase Starlite/ChEMBL References
Mus musculus dihydrofolate reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis dihydrofolate reductase/thymidilate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania infantum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum ko:K00560 thymidylate synthase [EC2.1.1.45], putative Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium yoelii thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania donovani dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Onchocerca volvulus Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Leishmania major dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Get druggable targets OG5_127385 All targets in OG5_127385
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C) Get druggable targets OG5_127385 All targets in OG5_127385
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
Cryptosporidium hominis chain A, crystal structure of Dhfr Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) Get druggable targets OG5_127385 All targets in OG5_127385
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Get druggable targets OG5_127385 All targets in OG5_127385
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Cryptosporidium hominis chain A, crystal structure of Dhfr Dihydrofolate reductase   187 aa 182 aa 34.1 %
Trypanosoma brucei gambiense dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Plasmodium yoelii thymidylate synthase, putative Dihydrofolate reductase   187 aa 212 aa 27.8 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 210 aa 30.0 %
Babesia bovis dihydrofolate reductase/thymidilate synthase Dihydrofolate reductase   187 aa 191 aa 31.9 %
Leishmania braziliensis dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 34.3 %
Neospora caninum Bifunctional dihydrofolate reductase-thymidylate synthase, related Dihydrofolate reductase   187 aa 187 aa 35.8 %
Theileria parva dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 193 aa 32.1 %
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase dihydrofolate reductase 187 aa 202 aa 29.7 %
Leishmania infantum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Leishmania donovani dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Leishmania major dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 36.0 %
Plasmodium berghei bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 211 aa 28.4 %
Cryptosporidium parvum dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 182 aa 33.5 %
Leishmania mexicana dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 172 aa 33.7 %
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 186 aa 37.1 %
Plasmodium knowlesi bifunctional dihydrofolate reductase-thymidylate synthase, putative Dihydrofolate reductase   187 aa 209 aa 29.2 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase dihydrofolate reductase 187 aa 207 aa 30.4 %
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase   187 aa 202 aa 29.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Matrilysin homolog 0.0143 0.0422 0.0708
Echinococcus multilocularis fibrillin 1 0.0196 0.0864 0.001
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0439 0.29 0.2237
Loa Loa (eye worm) thymidylate synthase 0.0195 0.0855 0.0504
Echinococcus multilocularis laminin 0.0196 0.0864 0.001
Leishmania major histone deacetylase, putative 0.056 0.3913 0.0613
Echinococcus granulosus histone deacetylase 8 0.0423 0.2767 0.2091
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0196 0.0864 0.0514
Echinococcus granulosus survival motor neuron protein 1 0.026 0.1404 0.06
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.083 0.6181 1
Loa Loa (eye worm) dihydrofolate reductase 0.083 0.6181 0.6035
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0174 0.0683 0.0683
Brugia malayi histone deacetylase 11 0.0423 0.2767 0.2767
Echinococcus granulosus histone deacetylase 7 0.056 0.3913 0.3344
Echinococcus granulosus histone deacetylase 6 0.056 0.3913 0.3344
Echinococcus multilocularis Tolloid protein 1 0.0196 0.0864 0.001
Onchocerca volvulus Histone deacetylase 10 homolog 0.0423 0.2767 1
Brugia malayi hypothetical protein 0.026 0.1404 0.1404
Plasmodium vivax histone deacetylase, putative 0.056 0.3913 0.1584
Schistosoma mansoni histone deacetylase hda2 0.0566 0.3969 0.3818
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0439 0.29 0.2237
Schistosoma mansoni histone deacetylase hda2 0.0423 0.2767 0.2587
Echinococcus multilocularis survival motor neuron protein 1 0.026 0.1404 0.06
Echinococcus multilocularis histone deacetylase 6 0.0566 0.3969 0.3405
Trypanosoma brucei histone deacetylase 4 0.056 0.3913 0.1584
Trypanosoma brucei histone deacetylase, putative 0.056 0.3913 0.1584
Trichomonas vaginalis histone deacetylase, putative 0.1286 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1286 1 1
Toxoplasma gondii histone deacetylase HDAC5 0.0423 0.2767 0.2083
Echinococcus granulosus histone deacetylase 0.056 0.3913 0.3344
Trichomonas vaginalis histone deacetylase, putative 0.1286 1 1
Loa Loa (eye worm) matrixin family protein 0.0265 0.1441 0.1113
Leishmania major histone deacetylase, putative 0.1286 1 1
Onchocerca volvulus 0.0195 0.0855 0.2423
Plasmodium falciparum histone deacetylase 1 0.1286 1 1
Echinococcus multilocularis histone deacetylase 1 0.1286 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0196 0.0864 0.0864
Schistosoma mansoni histone deacetylase 4 5 0.056 0.3913 0.3761
Echinococcus granulosus histone deacetylase 6 0.056 0.3913 0.3344
Brugia malayi Matrixin family protein 0.0143 0.0422 0.0422
Plasmodium vivax histone deacetylase 1, putative 0.1286 1 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0195 0.0855 0.0312
Echinococcus multilocularis histone deacetylase 8 0.0423 0.2767 0.2091
Leishmania major histone deacetylase, putative 0.1286 1 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.0864 0.0514
Trichomonas vaginalis histone deacetylase, putative 0.1286 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0512 0.3515 0.1034
Trypanosoma cruzi histone deacetylase, putative 0.056 0.3913 0.3913
Schistosoma mansoni dihydrofolate reductase 0.083 0.6181 0.6086
Brugia malayi Histone deacetylase family protein 0.056 0.3913 0.3913
Trichomonas vaginalis histone deacetylase, putative 0.1286 1 1
Loa Loa (eye worm) hypothetical protein 0.1286 1 1
Echinococcus multilocularis histone deacetylase 0.056 0.3913 0.3344
Echinococcus multilocularis histone deacetylase 6 0.056 0.3913 0.3344
Onchocerca volvulus Matrix metalloproteinase homolog 0.0317 0.1881 0.6489
Trichomonas vaginalis histone deacetylase, putative 0.1286 1 1
Leishmania major histone deacetylase, putative 0.056 0.3913 0.0613
Loa Loa (eye worm) hypothetical protein 0.0196 0.0864 0.0514
Echinococcus granulosus histone deacetylase 3 0.1286 1 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.0422 0.0055
Trypanosoma cruzi histone deacetylase, putative 0.056 0.3913 0.3913
Loa Loa (eye worm) histone deacetylase 0.056 0.3913 0.3679
Loa Loa (eye worm) matrixin family protein 0.0317 0.1881 0.157
Trypanosoma cruzi histone deacetylase, putative 0.0423 0.2767 0.2767
Toxoplasma gondii histone deacetylase HDAC2 0.1286 1 1
Loa Loa (eye worm) histone deacetylase 3 0.1286 1 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0196 0.0864 0.0864
Brugia malayi thymidylate synthase 0.0195 0.0855 0.0855
Chlamydia trachomatis dihydrofolate reductase 0.083 0.6181 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.0422 0.0055
Trypanosoma cruzi histone deacetylase 1, putative 0.1286 1 1
Brugia malayi Matrixin family protein 0.0143 0.0422 0.0422
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0196 0.0864 0.0514
Loa Loa (eye worm) hypothetical protein 0.0196 0.0864 0.0514
Loa Loa (eye worm) histone deacetylase 7A 0.056 0.3913 0.3679
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0195 0.0855 0.1383
Loa Loa (eye worm) matrix metalloproteinase 0.0143 0.0422 0.0055
Entamoeba histolytica histone deacetylase, putative 0.1286 1 0.5
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.083 0.6181 1
Schistosoma mansoni histone deacetylase 0.1286 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0195 0.0855 0.0627
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0196 0.0864 0.0637
Onchocerca volvulus Arrow homolog 0.0196 0.0864 0.246
Trypanosoma cruzi histone deacetylase 1, putative 0.1286 1 1
Toxoplasma gondii histone deacetylase HDAC4 0.0423 0.2767 0.2083
Plasmodium falciparum histone deacetylase 2 0.056 0.3913 0.0613
Echinococcus granulosus dihydrofolate reductase 0.083 0.6181 0.5824
Brugia malayi Fibulin-1 precursor 0.0196 0.0864 0.0864
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0196 0.0864 0.0514
Loa Loa (eye worm) hypothetical protein 0.0196 0.0864 0.0514
Trypanosoma brucei histone deacetylase 3 0.056 0.3913 0.1584
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0512 0.3515 0.3515
Brugia malayi Histone deacetylase family protein 0.056 0.3913 0.3913
Loa Loa (eye worm) hypothetical protein 0.0143 0.0422 0.0055
Brugia malayi Matrixin family protein 0.0143 0.0422 0.0422
Loa Loa (eye worm) hypothetical protein 0.0143 0.0425 0.0058
Trypanosoma cruzi histone deacetylase, putative 0.0423 0.2767 0.2767
Echinococcus granulosus histone deacetylase 6 0.0566 0.3969 0.3405
Loa Loa (eye worm) hypothetical protein 0.0174 0.0683 0.0326
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1286 1 1
Echinococcus multilocularis dihydrofolate reductase 0.083 0.6181 0.5824
Brugia malayi Histone deacetylase 1 0.1286 1 1
Schistosoma mansoni histone deacetylase 0.1286 1 1
Brugia malayi dihydrofolate reductase family protein 0.083 0.6181 0.6181
Schistosoma mansoni egf-like domain protein 0.0196 0.0864 0.0637
Trypanosoma brucei histone deacetylase 1 0.1286 1 1
Mycobacterium ulcerans thymidylate synthase 0.0195 0.0855 0.0312
Onchocerca volvulus 0.0143 0.0422 0.0708
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0143 0.0422 0.0183
Toxoplasma gondii histone deacetylase HDAC1 0.056 0.3913 0.3337
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0174 0.0683 0.1105
Loa Loa (eye worm) hypothetical protein 0.0423 0.2767 0.249
Loa Loa (eye worm) histone deacetylase 11 0.0423 0.2767 0.249
Plasmodium vivax histone deacetylase 2, putative 0.056 0.3913 0.1584
Toxoplasma gondii histone deacetylase HDAC3 0.1286 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.083 0.6181 1
Schistosoma mansoni histone deacetylase 4 5 0.056 0.3913 0.3761
Brugia malayi Matrixin family protein 0.0143 0.0422 0.0422
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.1286 1 1
Trypanosoma cruzi histone deacetylase, putative 0.056 0.3913 0.3913
Plasmodium falciparum histone deacetylase, putative 0.056 0.3913 0.0613
Loa Loa (eye worm) hypothetical protein 0.0196 0.0864 0.0514
Brugia malayi Matrixin family protein 0.0265 0.1441 0.1441
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0512 0.3515 0.1034
Echinococcus granulosus Tolloid protein 1 0.0196 0.0864 0.001
Giardia lamblia Histone deacetylase 0.1286 1 0.5
Brugia malayi histone deacetylase 1 (HD1) 0.1286 1 1
Echinococcus multilocularis histone deacetylase 3 0.1286 1 1
Loa Loa (eye worm) histone deacetylase 1 0.1286 1 1
Brugia malayi Hemopexin family protein 0.0122 0.0243 0.0243
Trichomonas vaginalis histone deacetylase, putative 0.1286 1 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0423 0.2767 0.2587
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0512 0.3515 0.2902
Echinococcus multilocularis histone deacetylase 7 0.056 0.3913 0.3344
Echinococcus multilocularis histone deacetylase 6 0.056 0.3913 0.3344
Echinococcus granulosus histone deacetylase 1 0.1286 1 1
Echinococcus granulosus laminin 0.0196 0.0864 0.001
Onchocerca volvulus Matrilysin homolog 0.0317 0.1881 0.6489
Loa Loa (eye worm) hypothetical protein 0.026 0.1404 0.1074
Brugia malayi Dihydrofolate reductase 0.083 0.6181 0.6181

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 0.0046 uM Inhibitory activity against dihydrofolate reductase (DHFR) obtained from human WIL2 cells ChEMBL. 3339615
I50 (binding) = 0.033 uM Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells ChEMBL. 3339615
I50 (binding) = 0.051 uM Evaluated for the inhibition of dihydrofolate reductase from L1210 mouse leukemia cells ChEMBL. 3968685
I50 (functional) = 0.47 uM Evaluated for the growth inhibition of L1210 /S cells ChEMBL. 3968685
I50 (functional) = 4.8 uM Evaluated for the uptake of Methotrexate in L1210 leukemia cells ChEMBL. 3968685
IC50 (binding) = 0.0033 uM Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM ChEMBL. 3968685
IC50 (binding) = 0.0033 uM Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM ChEMBL. 3968685
IC50 (binding) = 0.0046 uM Inhibitory activity against dihydrofolate reductase (DHFR) obtained from human WIL2 cells ChEMBL. 3339615
IC50 (functional) = 0.015 uM Evaluated for the inhibition of human gastrointestinal adenocarcinoma cells in vitro by HuTu 80 assay ChEMBL. 3968685
IC50 (functional) = 0.026 uM Evaluated for the inhibition of human gastrointestinal adenocarcinoma cells in vitro by HT-29 assay ChEMBL. 3968685
IC50 (functional) = 0.026 uM Evaluated for the inhibition of human gastrointestinal adenocarcinoma cells in vitro by SW480 assay ChEMBL. 3968685
IC50 (binding) = 0.033 uM Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells ChEMBL. 3339615
IC50 (functional) = 0.039 uM Evaluated for the inhibition of human gastrointestinal adenocarcinoma cells in vitro by WIDR assay ChEMBL. 3968685
IC50 (binding) = 0.051 uM Evaluated for the inhibition of dihydrofolate reductase from L1210 mouse leukemia cells ChEMBL. 3968685
IC50 (functional) = 0.47 uM Evaluated for the growth inhibition of L1210 /S cells ChEMBL. 3968685
IC50 (functional) = 4.8 uM Evaluated for the uptake of Methotrexate in L1210 leukemia cells ChEMBL. 3968685
IC50 (functional) > 102 uM Evaluated for 50% inhibition of growth of L1210 / R81 cells (48 h), relative to untreated controls; cell growth 68 % of control at this concentration ChEMBL. 3968685
IC50 (functional) > 102 uM Evaluated for 50% inhibition of growth of L1210 / R81 cells (48 h), relative to untreated controls; cell growth 68 % of control at this concentration ChEMBL. 3968685
Increased life span (functional) = 102 % Increase life span of mice bearing L1210 leukemia at a dose of 10 mg/kg on subcuteanous administration ChEMBL. 3968685
Increased life span (functional) = 102 % Increase life span of mice bearing L1210 leukemia at a dose of 10 mg/kg on subcuteanous administration ChEMBL. 3968685
Increased life span (functional) = 139 % Increase life span of mice bearing L1210 leukemia at a dose of 15 mg/kg on subcuteanous administration ChEMBL. 3968685
Increased life span (functional) = 139 % Increase life span of mice bearing L1210 leukemia at a dose of 15 mg/kg on subcuteanous administration ChEMBL. 3968685
Increased life span (functional) = 169 % Increase life span of mice bearing L1210 leukemia at a dose of 20 mg/kg on subcuteanous administration ChEMBL. 3968685
Increased life span (functional) = 169 % Increase life span of mice bearing L1210 leukemia at a dose of 20 mg/kg on subcuteanous administration ChEMBL. 3968685
Mean survival time (functional) = 15 day Mean survival time of mice bearing L1210 leukemia at a dose of 10 mg/kg on subcuteanous administration ChEMBL. 3968685
Mean survival time (functional) = 15 day Mean survival time of mice bearing L1210 leukemia at a dose of 10 mg/kg on subcuteanous administration ChEMBL. 3968685
Mean survival time (functional) = 17.7 day Mean survival time of mice bearing L1210 leukemia at a dose of 15 mg/kg on subcuteanous administration ChEMBL. 3968685
Mean survival time (functional) = 17.7 day Mean survival time of mice bearing L1210 leukemia at a dose of 15 mg/kg on subcuteanous administration ChEMBL. 3968685
Mean survival time (functional) = 19.4 day Mean survival time of mice bearing L1210 leukemia at a dose of 20 mg/kg on subcuteanous administration ChEMBL. 3968685
Mean survival time (functional) = 19.4 day Mean survival time of mice bearing L1210 leukemia at a dose of 20 mg/kg on subcuteanous administration ChEMBL. 3968685

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 3968685

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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