Detailed information for compound 302656

Basic information

Technical information
  • TDR Targets ID: 302656
  • Name: 7-ethyl-8-propan-2-ylpyrrolo[3,2-f]quinazolin e-1,3-diamine
  • MW: 269.345 | Formula: C15H19N5
  • H donors: 2 H acceptors: 2 LogP: 2.39 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(cc2c1ccc1c2c(N)nc(n1)N)C(C)C
  • InChi: 1S/C15H19N5/c1-4-20-11-6-5-10-13(14(16)19-15(17)18-10)9(11)7-12(20)8(2)3/h5-8H,4H2,1-3H3,(H4,16,17,18,19)
  • InChiKey: NNNLFGJHIHGHAH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-ethyl-8-isopropyl-pyrrolo[3,2-f]quinazoline-1,3-diamine
  • 7-ethyl-8-isopropylpyrrolo[3,2-f]quinazoline-1,3-diamine
  • 7-ethyl-8-propan-2-yl-pyrrolo[3,2-f]quinazoline-1,3-diamine
  • (1-amino-7-ethyl-8-isopropyl-pyrrolo[3,2-f]quinazolin-3-yl)amine
  • (3-amino-7-ethyl-8-isopropyl-pyrrolo[3,2-f]quinazolin-1-yl)amine
  • 2-Isopropyl-3-ethylpyrrolo[3,2-f]quinazoline-7,9-diamine
  • AIDS-057262
  • AIDS057262

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dihydrofolate reductase Starlite/ChEMBL References
Candida albicans dihydrofolate reductase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) 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
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase dihydrofolate reductase 187 aa 202 aa 29.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Toxoplasma gondii thioredoxin reductase 0.0211 0.4524 1
Schistosoma mansoni hypothetical protein 0.0126 0.226 0.226
Trichomonas vaginalis tubulin beta chain, putative 0.0078 0.0976 0.3755
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Echinococcus multilocularis Tubulin beta 2C chain 0.0081 0.1051 0.1051
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0073 0.0836 0.138
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0073 0.0836 0.138
Giardia lamblia NADH oxidase lateral transfer candidate 0.0073 0.0836 0.7324
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Loa Loa (eye worm) tubulin alpha-2 chain 0.0078 0.0976 0.0976
Schistosoma mansoni alpha tubulin 0.0078 0.0976 0.0976
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0073 0.0836 0.0836
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0211 0.4524 0.4024
Schistosoma mansoni tubulin subunit alpha 0.0078 0.0976 0.0976
Trypanosoma brucei beta tubulin 0.0081 0.1051 0.1885
Loa Loa (eye worm) tubulin alpha 2 0.0056 0.0383 0.0383
Loa Loa (eye worm) dihydrofolate reductase 0.0415 1 1
Plasmodium falciparum thioredoxin reductase 0.0073 0.0836 0.138
Trichomonas vaginalis tubulin gamma chain, putative 0.0051 0.0245 0.0202
Brugia malayi Tubulin alpha chain 0.0078 0.0976 0.0976
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.3132 0.6746
Toxoplasma gondii alpha tubulin TUBA1 0.0078 0.0976 0.1708
Trichomonas vaginalis tubulin gamma chain, putative 0.0051 0.0245 0.0202
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0073 0.0836 0.138
Brugia malayi Tubulin alpha-2 chain 0.0078 0.0976 0.0976
Toxoplasma gondii facilitative glucose transporter GT1 0.0126 0.226 0.471
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0054 0.0316 0.0316
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Echinococcus granulosus Tubulin beta 2C chain 0.0081 0.1051 0.1051
Echinococcus multilocularis Tubulin beta 2C chain 0.0081 0.1051 0.1051
Echinococcus granulosus peroxisome assembly protein 26 0.0078 0.0976 0.0976
Onchocerca volvulus 0.0042 0 0.5
Schistosoma mansoni tubulin subunit beta 0.0081 0.1051 0.1051
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0073 0.0836 0.138
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0073 0.0836 0.0836
Echinococcus granulosus tubulin beta 4A class IVa 0.0081 0.1051 0.1051
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 0.226 0.226
Entamoeba histolytica tubulin alpha chain, putative 0.0078 0.0976 0.9064
Schistosoma mansoni glucose transport protein 0.0126 0.226 0.226
Echinococcus multilocularis Tubulin beta 2C chain 0.0081 0.1051 0.1051
Giardia lamblia Alpha-tubulin 0.0078 0.0976 0.9064
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.3132 0.6746
Giardia lamblia Beta tubulin 0.0081 0.1051 1
Onchocerca volvulus 0.0042 0 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0081 0.1051 0.1051
Loa Loa (eye worm) tubulin beta-2A chain 0.0081 0.1051 0.1051
Loa Loa (eye worm) tubulin alpha chain 0.0078 0.0976 0.0976
Echinococcus multilocularis tubulin alpha 3 chain 0.0078 0.0976 0.0976
Echinococcus multilocularis tubulin alpha chain 0.0078 0.0976 0.0976
Echinococcus multilocularis tubulin alpha chain 0.0078 0.0976 0.0976
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Echinococcus granulosus tubulin alpha chain 0.0078 0.0976 0.0976
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0415 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0078 0.0976 0.1708
Echinococcus multilocularis Tubulin alpha 1 chain 0.0078 0.0976 0.0976
Brugia malayi alpha-tubulin 0.0078 0.0976 0.0976
Plasmodium vivax tubulin beta chain, putative 0.0081 0.1051 0.1885
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Plasmodium vivax glutathione reductase, putative 0.0211 0.4524 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.3132 0.6746
Echinococcus granulosus tubulin alpha 1C chain 0.0078 0.0976 0.0976
Echinococcus multilocularis beta tubulin 0.0081 0.1051 0.1051
Brugia malayi Tubulin alpha-2 chain 0.0078 0.0976 0.0976
Echinococcus multilocularis tubulin alpha chain 0.0078 0.0976 0.0976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0073 0.0836 0.138
Trypanosoma brucei trypanothione reductase 0.0211 0.4524 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0078 0.0976 0.0976
Trichomonas vaginalis tubulin alpha chain, putative 0.0081 0.1051 0.4122
Echinococcus granulosus Tubulin alpha 1 chain 0.0078 0.0976 0.0976
Trypanosoma brucei alpha tubulin 0.0078 0.0976 0.1708
Schistosoma mansoni dihydrofolate reductase 0.0415 1 1
Echinococcus multilocularis tubulin subunit beta 0.0081 0.1051 0.1051
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0073 0.0836 0.138
Echinococcus granulosus tubulin alpha 3 chain 0.0078 0.0976 0.0976
Trypanosoma cruzi trypanothione reductase, putative 0.0211 0.4524 1
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Brugia malayi Tubulin gamma chain 0.0051 0.0245 0.0245
Trichomonas vaginalis tubulin beta chain, putative 0.0078 0.0976 0.3755
Echinococcus multilocularis peroxisome assembly protein 26 0.0078 0.0976 0.0976
Echinococcus granulosus Tubulin beta 2C chain 0.0081 0.1051 0.1051
Echinococcus multilocularis Tubulin alpha 1 chain 0.0078 0.0976 0.0976
Toxoplasma gondii alpha-tubulin I, putative 0.0078 0.0976 0.1708
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Toxoplasma gondii beta-1 tubulin, putative 0.0081 0.1051 0.1885
Loa Loa (eye worm) tubulin gamma chain 0.0051 0.0245 0.0245
Schistosoma mansoni tubulin subunit alpha 0.0078 0.0976 0.0976
Toxoplasma gondii NADPH-glutathione reductase 0.0073 0.0836 0.138
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 0.226 0.226
Plasmodium falciparum tubulin beta chain 0.0081 0.1051 0.1885
Trichomonas vaginalis tubulin beta chain, putative 0.0078 0.0976 0.3755
Loa Loa (eye worm) tubulin alpha 2 0.0056 0.0383 0.0383
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 0.226 0.226
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0056 0.0383 0.0383
Echinococcus granulosus Tubulin alpha 1 chain 0.0078 0.0976 0.0976
Giardia lamblia Beta tubulin 0.0081 0.1051 1
Trypanosoma brucei beta tubulin 0.0081 0.1051 0.1885
Trichomonas vaginalis tubulin epsilon chain, putative 0.0078 0.0976 0.3755
Loa Loa (eye worm) BEN-1 protein 0.0081 0.1051 0.1051
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0126 0.226 0.226
Trichomonas vaginalis tubulin alpha chain, putative 0.0051 0.0245 0.0202
Echinococcus multilocularis Tubulin beta 2C chain 0.0081 0.1051 0.1051
Giardia lamblia Beta tubulin 0.0081 0.1051 1
Schistosoma mansoni tubulin subunit epsilon 0.0051 0.0245 0.0245
Schistosoma mansoni tubulin subunit beta 0.0081 0.1051 0.1051
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0073 0.0836 0.138
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0415 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0073 0.0836 0.138
Echinococcus granulosus General substrate transporter 0.0108 0.1785 0.1785
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.3132 0.6746
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0081 0.1051 0.1051
Echinococcus granulosus tubulin alpha 0.0051 0.0245 0.0245
Onchocerca volvulus 0.0042 0 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.3132 0.6746
Schistosoma mansoni alpha tubulin 0.0078 0.0976 0.0976
Echinococcus granulosus tubulin alpha chain 0.0078 0.0976 0.0976
Loa Loa (eye worm) sugar transporter 0.0126 0.226 0.226
Trypanosoma brucei beta tubulin 0.0081 0.1051 0.1885
Echinococcus granulosus tubulin epsilon chain 0.0051 0.0245 0.0245
Toxoplasma gondii beta-tubulin, putative 0.0081 0.1051 0.1885
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0073 0.0836 0.5
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0073 0.0836 0.138
Loa Loa (eye worm) BEN-1 protein 0.0081 0.1051 0.1051
Brugia malayi Dihydrofolate reductase 0.0415 1 1
Echinococcus granulosus beta tubulin 0.0081 0.1051 0.1051
Echinococcus multilocularis tubulin alpha 3 chain 0.0078 0.0976 0.0976
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0073 0.0836 0.0836
Toxoplasma gondii beta tubulin 0.0081 0.1051 0.1885
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0415 1 1
Brugia malayi Thioredoxin reductase 0.0211 0.4524 0.4524
Trichomonas vaginalis tubulin, putative 0.0081 0.1051 0.4122
Loa Loa (eye worm) tubulin alpha-3 chain 0.0049 0.0203 0.0203
Trypanosoma cruzi alpha tubulin, putative 0.0078 0.0976 0.1708
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0078 0.0976 0.3755
Echinococcus multilocularis General substrate transporter 0.0108 0.1785 0.1785
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Loa Loa (eye worm) alpha-tubulin 0.0078 0.0976 0.0976
Echinococcus multilocularis hypothetical protein 0.0078 0.0976 0.0976
Leishmania major trypanothione reductase 0.0211 0.4524 1
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Trichomonas vaginalis glutathione reductase, putative 0.0073 0.0836 0.3074
Loa Loa (eye worm) tubulin alpha chain 0.0078 0.0976 0.0976
Onchocerca volvulus 0.0042 0 0.5
Echinococcus granulosus tubulin beta 1 chain 0.0081 0.1051 0.1051
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0073 0.0836 0.0836
Echinococcus multilocularis tubulin subunit TubB 0.0078 0.0976 0.0976
Plasmodium vivax hexose transporter 0.0126 0.226 0.471
Brugia malayi tubulin alpha chain - mouse 0.0078 0.0976 0.0976
Trichomonas vaginalis tubulin beta chain, putative 0.0078 0.0976 0.3755
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0073 0.0836 0.138
Loa Loa (eye worm) hypothetical protein 0.0049 0.0203 0.0203
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Echinococcus multilocularis tubulin beta 1 chain 0.0081 0.1051 0.1051
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0073 0.0836 0.138
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 0.226 0.226
Schistosoma mansoni glucose transport protein 0.0126 0.226 0.226
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0073 0.0836 0.138
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0073 0.0836 0.138
Echinococcus multilocularis Tubulin beta 2C chain 0.0081 0.1051 0.1051
Schistosoma mansoni tubulin subunit beta 0.0081 0.1051 0.1051
Echinococcus granulosus beta tubulin 0.0081 0.1051 0.1051
Loa Loa (eye worm) hypothetical protein 0.0078 0.0976 0.0976
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0073 0.0836 0.138
Loa Loa (eye worm) tubulin beta chain 0.0081 0.1051 0.1051
Echinococcus granulosus alpha tubulin 0.0078 0.0976 0.0976
Echinococcus granulosus tubulin alpha chain 0.0078 0.0976 0.0976
Plasmodium falciparum glutathione reductase 0.0073 0.0836 0.138
Plasmodium falciparum alpha tubulin 1 0.0078 0.0976 0.1708
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0073 0.0836 0.138
Echinococcus granulosus tubulin alpha chain 0.0078 0.0976 0.0976
Echinococcus multilocularis thioredoxin glutathione reductase 0.0211 0.4524 0.4524
Echinococcus granulosus tubulin alpha 3 chain 0.0078 0.0976 0.0976
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0126 0.226 0.226
Echinococcus granulosus Tubulin alpha 1 chain 0.0078 0.0976 0.0976
Echinococcus multilocularis dihydrofolate reductase 0.0415 1 1
Plasmodium falciparum thioredoxin reductase 0.0211 0.4524 1
Entamoeba histolytica tubulin alpha-1 chain 0.0078 0.0976 0.9064
Echinococcus multilocularis tubulin alpha 1C chain 0.0078 0.0976 0.0976
Trichomonas vaginalis tubulin beta chain, putative 0.0081 0.1051 0.4122
Schistosoma mansoni tubulin subunit gamma 0.0051 0.0245 0.0245
Schistosoma mansoni tubulin subunit alpha 0.0078 0.0976 0.0976
Brugia malayi glutathione reductase 0.0211 0.4524 0.4524
Brugia malayi Sugar transporter family protein 0.0126 0.226 0.226
Loa Loa (eye worm) beta-tubulin 0.0081 0.1051 0.1051
Treponema pallidum NADH oxidase 0.0073 0.0836 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0078 0.0976 0.3755
Loa Loa (eye worm) tubulin beta-1 chain 0.0081 0.1051 0.1051
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0073 0.0836 0.138
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.3132 0.6746
Echinococcus granulosus tubulin alpha chain 0.0078 0.0976 0.0976
Trichomonas vaginalis tubulin epsilon chain, putative 0.0081 0.1051 0.4122
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0073 0.0836 0.138
Entamoeba histolytica tubulin family protein 0.0081 0.1051 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0383 0.0383
Trypanosoma brucei alpha tubulin 0.0078 0.0976 0.1708
Echinococcus multilocularis tubulin gamma 1 chain 0.0051 0.0245 0.0245
Echinococcus granulosus tubulin gamma 1 chain 0.0051 0.0245 0.0245
Echinococcus multilocularis tubulin alpha chain 0.0078 0.0976 0.0976
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0054 0.0316 0.0316
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 0.226 0.226
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Trypanosoma cruzi beta tubulin, putative 0.0081 0.1051 0.1885
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0073 0.0836 0.5
Trypanosoma brucei alpha tubulin 0.0078 0.0976 0.1708
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0073 0.0836 0.0836
Echinococcus multilocularis beta tubulin 0.0081 0.1051 0.1051
Schistosoma mansoni tubulin subunit beta 0.0081 0.1051 0.1051
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0056 0.0383 0.0874
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Echinococcus granulosus Tubulin beta 2C chain 0.0081 0.1051 0.1051
Plasmodium vivax tubulin alpha chain, putative 0.0078 0.0976 0.1708
Echinococcus multilocularis tubulin alpha chain 0.0078 0.0976 0.0976
Trichomonas vaginalis tubulin gamma chain, putative 0.0081 0.1051 0.4122
Entamoeba histolytica tubulin family protein 0.0081 0.1051 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0073 0.0836 0.138
Trichomonas vaginalis mercuric reductase, putative 0.0073 0.0836 0.3074
Trichomonas vaginalis conserved hypothetical protein 0.0126 0.226 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0081 0.1051 0.1051
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0073 0.0836 0.138
Echinococcus granulosus tubulin subunit beta 0.0081 0.1051 0.1051
Trypanosoma brucei beta tubulin 0.0081 0.1051 0.1885
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0126 0.226 0.226
Echinococcus granulosus thioredoxin glutathione reductase 0.0211 0.4524 0.4524
Onchocerca volvulus 0.0042 0 0.5
Echinococcus multilocularis tubulin epsilon chain 0.0051 0.0245 0.0245
Schistosoma mansoni alpha tubulin 0.0078 0.0976 0.0976
Trypanosoma brucei alpha tubulin 0.0078 0.0976 0.1708
Giardia lamblia Alpha-tubulin 0.0078 0.0976 0.9064
Echinococcus granulosus dihydrofolate reductase 0.0415 1 1
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Echinococcus granulosus tubulin alpha 1C chain 0.0078 0.0976 0.0976
Trichomonas vaginalis tubulin epsilon chain, putative 0.0078 0.0976 0.3755
Brugia malayi tubulin alpha-2 chain 0.0078 0.0976 0.0976
Loa Loa (eye worm) glutathione reductase 0.0211 0.4524 0.4524
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0073 0.0836 0.138
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0073 0.0836 0.0836
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0073 0.0836 0.138
Trichomonas vaginalis tubulin beta chain, putative 0.0078 0.0976 0.3755
Echinococcus multilocularis tubulin alpha 0.0051 0.0245 0.0245
Onchocerca volvulus 0.0042 0 0.5
Plasmodium falciparum alpha tubulin 2 0.0078 0.0976 0.1708
Plasmodium vivax thioredoxin reductase, putative 0.0211 0.4524 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0078 0.0976 0.0976
Leishmania major beta tubulin 0.0081 0.1051 0.1885
Brugia malayi beta-tubulin, identical 0.0081 0.1051 0.1051
Plasmodium falciparum glutathione reductase 0.0211 0.4524 1
Schistosoma mansoni tubulin subunit beta 0.0081 0.1051 0.1051
Schistosoma mansoni glucose transport protein 0.0126 0.226 0.226
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Schistosoma mansoni tubulin subunit beta 0.0081 0.1051 0.1051
Chlamydia trachomatis dihydrofolate reductase 0.0415 1 1
Brugia malayi Tubulin beta-1 chain 0.0081 0.1051 0.1051
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0073 0.0836 0.138
Echinococcus granulosus tubulin subunit TubB 0.0078 0.0976 0.0976
Loa Loa (eye worm) alpha-tubulin 0.0078 0.0976 0.0976
Leishmania major alpha tubulin 0.0078 0.0976 0.1708
Trichomonas vaginalis tubulin epsilon chain, putative 0.0081 0.1051 0.4122
Plasmodium falciparum hexose transporter 0.0126 0.226 0.471
Echinococcus granulosus Tubulin beta 2C chain 0.0081 0.1051 0.1051
Loa Loa (eye worm) thioredoxin reductase 0.0211 0.4524 0.4524
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0073 0.0836 0.0836

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.4 nM Activity was evaluated against HCT-8 tumor cells ChEMBL. 8632413
IC50 (functional) = 1.4 nM Activity was evaluated against HCT-8 tumor cells ChEMBL. 8632413
Inhibition (functional) = 0 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 2 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 41.96 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 50.6 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 61.15 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 67 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 92 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 2.88 Inhibition Frequency Index (IFI) GSK. 20485427
Ki (binding) = 0.33 nM Inhibition of Dihydrofolate reductase enzyme from Candida albicans ChEMBL. 8632413
Ki (binding) = 0.33 nM Inhibition of Dihydrofolate reductase enzyme from Candida albicans ChEMBL. 8632413
Ki (binding) < 2 nM Inhibition of human recombinant Dihydrofolate reductase enzyme ChEMBL. 8632413
Ki (binding) < 2 nM Inhibition of human recombinant Dihydrofolate reductase enzyme ChEMBL. 8632413
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration evaluated against Candida albicans ChEMBL. 8632413
MIC (functional) = 0.1 ug ml-1 Minimum inhibitory concentration evaluated against Candida albicans ChEMBL. 8632413
Percent growth inhibition (functional) = -2 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 2 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 67 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 92 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 7.91 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.01241 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 8632413

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.
 
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External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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