TDR Targets

Basic information

Technical information

TDR Targets ID: 305156
Name: 7-tert-butyl-8-ethylpyrrolo[3,2-f]quinazoline -1,3-diamine
MW: 283.371 | Formula: C16H21N5
H donors: 2 H acceptors: 2 LogP: 2.65 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCc1cc2c(n1C(C)(C)C)ccc1c2c(N)nc(n1)N
InChi: 1S/C16H21N5/c1-5-9-8-10-12(21(9)16(2,3)4)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
InChiKey: UOAQMUMUMLWAOF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

7-tert-butyl-8-ethyl-pyrrolo[3,2-f]quinazoline-1,3-diamine
(1-amino-7-tert-butyl-8-ethyl-pyrrolo[3,2-f]quinazolin-3-yl)amine
(3-amino-7-tert-butyl-8-ethyl-pyrrolo[3,2-f]quinazolin-1-yl)amine
2-Ethyl-3-tert-butylpyrrolo[3,2-f]quinazoline-7,9-diamine
AIDS-057264
AIDS057264

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Candida albicans	dihydrofolate reductase	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 2 (facilitated glucose transporter), member 1	Starlite/ChEMBL	No references
Homo sapiens	dihydrofolate reductase	Starlite/ChEMBL	References
Plasmodium falciparum	hexose transporter	Starlite/ChEMBL	No references
Leishmania mexicana	glucose transporter, lmgt2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	glucose transporter,glucose transporter 2A, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania infantum	glucose transporter, lmgt2	Get druggable targets OG5_129633	All targets in OG5_129633
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma cruzi	hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma cruzi	hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Neospora caninum	Glucose transporter 1A, related	Get druggable targets OG5_127135	All targets in OG5_127135
Trichomonas vaginalis	sugar transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma congolense	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Candida albicans	C terminus is almost identical to CaP19.2865	Get druggable targets OG5_127135	All targets in OG5_127135
Trichomonas vaginalis	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium falciparum	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei	glucose transporter 2A	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei gambiense	hexose transporter,glucose transporter 1B	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium vivax	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 4, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 1, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Brugia malayi	Dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania donovani	glucose transporter 3, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Chlamydia trachomatis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	IPR005828,General substrate transporter,domain-containing	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania braziliensis	glucose transporter, lmgt2	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	sugar transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	THT1 - hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127135	All targets in OG5_127135
Brugia malayi	Sugar transporter family protein	Get druggable targets OG5_127135	All targets in OG5_127135
Candida albicans	hypothetical protein	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania mexicana	glucose transporter, lmgt3	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma mansoni	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Trypanosoma congolense	glucose transporter 2A, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	sugar transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma japonicum	Solute carrier family 2, facilitated glucose transporter member 3, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus granulosus	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania mexicana	glucose transporter, lmgt2	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania donovani	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Mycobacterium ulcerans	dihydrofolate reductase DfrA	Get druggable targets OG5_128410	All targets in OG5_128410
Schistosoma japonicum	ko:K07299 MFS transporter, SP family, solute carrier family 2 (facilitated, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Plasmodium yoelii	putative sugar transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	THT1 - hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania braziliensis	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania braziliensis	lmgt2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania major	glucose transporter, lmgt3	Get druggable targets OG5_129633	All targets in OG5_129633
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	Get druggable targets OG5_127135	All targets in OG5_127135
Candida albicans	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania infantum	glucose transporter, lmgt1	Get druggable targets OG5_129633	All targets in OG5_129633
Echinococcus granulosus	General substrate transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Loa Loa (eye worm)	sugar transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium knowlesi	hexose transporter, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma congolense	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Candida albicans	almost identical to C terminus of CaP19.2425	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania infantum	glucose transporter, lmgt3	Get druggable targets OG5_129633	All targets in OG5_129633
Candida albicans	almost identical to C terminus of CaP19.2425	Get druggable targets OG5_127135	All targets in OG5_127135
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	Get druggable targets OG5_128410	All targets in OG5_128410
Candida albicans	C terminus is almost identical to CaP19.2865	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania major	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei gambiense	glucose transporter	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma cruzi	hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Loa Loa (eye worm)	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Toxoplasma gondii	facilitative glucose transporter GT1	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania donovani	glucose transporter 1	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma cruzi	hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	THT1 - hexose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_129633	All targets in OG5_129633
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	Get druggable targets OG5_128410	All targets in OG5_128410
Trypanosoma brucei gambiense	hexose transporter,glucose transporter 1B, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Echinococcus multilocularis	General substrate transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	ko:K07191 MFS transporter, SP family, solute carrier family 2 (facilitated, putative	Get druggable targets OG5_127135	All targets in OG5_127135
Schistosoma japonicum	ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania major	glucose transporter, lmgt1	Get druggable targets OG5_129633	All targets in OG5_129633
Brugia malayi	dihydrofolate reductase family protein	Get druggable targets OG5_128410	All targets in OG5_128410
Trypanosoma brucei	glucose transporter 1E	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma cruzi	hexose transporter	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania major	glucose transporter, lmgt2	Get druggable targets OG5_129633	All targets in OG5_129633
Plasmodium berghei	hexose transporter	Get druggable targets OG5_127135	All targets in OG5_127135
Leishmania mexicana	glucose transporter, lmgt1	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Schistosoma mansoni	glucose transport protein	Get druggable targets OG5_127135	All targets in OG5_127135
Trypanosoma brucei gambiense	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Trypanosoma brucei	glucose transporter, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Echinococcus multilocularis	dihydrofolate reductase	Get druggable targets OG5_128410	All targets in OG5_128410
Leishmania infantum	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633
Leishmania mexicana	glucose transporter/membrane transporter D2, putative	Get druggable targets OG5_129633	All targets in OG5_129633

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	glucose transporter, putative	hexose transporter	504 aa	426 aa	22.3 %
Trypanosoma brucei	glucose transporter, putative	solute carrier family 2 (facilitated glucose transporter), member 1	492 aa	395 aa	23.5 %
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	dihydrofolate reductase	187 aa	202 aa	29.7 %

Ranking Plot

Putative Targets List

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

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.3 nM	Activity was evaluated against HCT-8 tumor cells	ChEMBL.	8632413
IC50 (functional)	= 1.3 nM	Activity was evaluated against HCT-8 tumor cells	ChEMBL.	8632413
IC50 (functional)	= 1350 nM	ST_JUDE_LEISH: Cytotoxicity 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
IC50 (functional)	= 1393 nM	ST_JUDE_LEISH: Cytotoxicity 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
IC50 (functional)	= 1991 nM	ST_JUDE_LEISH: Cytotoxicity 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)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 78.36 %	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)	= 94.37 %	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)	= 96.04 %	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)	= 99 %	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)	= 7.26	Inhibition Frequency Index (IFI)	GSK.	20485427
Ki (binding)	< 0.005 nM	Inhibition of Dihydrofolate reductase enzyme from Candida albicans	ChEMBL.	8632413
Ki (binding)	< 0.005 nM	Inhibition of Dihydrofolate reductase enzyme from Candida albicans	ChEMBL.	8632413
Ki (binding)	= 0.1 nM	Inhibition of human recombinant Dihydrofolate reductase enzyme	ChEMBL.	8632413
Ki (binding)	= 0.1 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)	= -11 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 0 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 0 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 99 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 7.9	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.0127 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.

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

ChEMBL: CHEMBL369258
Search by GSK
PubChem: 467898

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 305156