TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 365.346 | Formula: C19H18F3NO3
H donors: 2 H acceptors: 3 LogP: 1.24 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(CC(=O)c1ccccc1C(F)(F)F)N[C@H](c1ccccc1)C
InChi: 1S/C19H18F3NO3/c1-12(13-7-3-2-4-8-13)23-16(18(25)26)11-17(24)14-9-5-6-10-15(14)19(20,21)22/h2-10,12,16,23H,11H2,1H3,(H,25,26)/t12-,16?/m0/s1
InChiKey: WUDYUQXXUZPWMX-HKALDPMFSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase)		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	naphthoate synthase	Get druggable targets OG5_134385	All targets in OG5_134385
Mycobacterium tuberculosis	Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase)	Get druggable targets OG5_134385	All targets in OG5_134385
Mycobacterium leprae	PROBABLE NAPHTHOATE SYNTHASE MENB (DIHYDROXYNAPHTHOIC ACID SYNTHETASE) (DHNA SYNTHETASE)	Get druggable targets OG5_134385	All targets in OG5_134385

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	GTOR	0.3571	1	1
Leishmania major	phosphatidylinositol kinase, putative	0.023	0.0617	0.0501
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0063	0.0063
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.023	0.0617	0.0617
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.023	0.0617	0.0617
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.023	0.0617	0.0591
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0054	0.0122	0.0122
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.3571	1	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0033	0.0063	0.0063
Entamoeba histolytica	protein kinase, putative	0.0031	0.0057	0.0057
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0675	0.1867	0.1867
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0054	0.0122	0.0122
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.2843	0.7956	0.7931
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.023	0.0617	1
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.023	0.0617	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2656	0.743	0.743
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.3571	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.023	0.0617	0.0591
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.023	0.0617	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0675	0.1867	0.1867
Loa Loa (eye worm)	phosphatidylinositol 3	0.023	0.0617	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1198	0.3334	0.3334
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.023	0.0617	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2134	0.5963	0.5963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1925	0.5378	0.5378
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.2843	0.7956	0.7943
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0054	0.0122	0.1596
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.0083	0.0083
Leishmania major	phosphatidylinositol 4-kinase, putative	0.023	0.0617	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0445	0.122	0.122
Echinococcus multilocularis	serine protein kinase ATM	0.0675	0.1867	0.1867
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.3571	1	1
Echinococcus granulosus	Glutaredoxin protein 5	0.002	0.0027	0.0027
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.023	0.0617	0.076
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0034	0.0034
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.023	0.0617	0.0617
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1198	0.3334	0.3292
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.023	0.0617	1
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0063	0.0063
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1483	0.4136	0.4099
Leishmania major	phosphatidylinositol 3-kinase, putative	0.023	0.0617	0.0501
Echinococcus multilocularis	fk506 binding protein	0.0054	0.0122	0.0122
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.023	0.0617	0.0617
Schistosoma mansoni	voltage-gated potassium channel	0.004	0.0083	0.0083
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1198	0.3334	0.3251
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.3571	1	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.023	0.0617	0.0617
Trichomonas vaginalis	conserved hypothetical protein	0.0445	0.122	0.122
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.023	0.0617	0.076
Echinococcus granulosus	nervana 2	0.002	0.0027	0.0027
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0054	0.0122	0.0122
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0054	0.0122	0.0094
Entamoeba histolytica	hypothetical protein	0.023	0.0617	0.0617
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.023	0.0617	0.0617
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0054	0.0122	0.0094
Mycobacterium tuberculosis	Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase)	0.0357	0.0973	1
Echinococcus multilocularis	nervana 2	0.002	0.0027	0.0027
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3571	1	1
Echinococcus multilocularis	Glutaredoxin protein 5	0.002	0.0027	0.0027
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.023	0.0617	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.023	0.0617	0.0617
Entamoeba histolytica	hypothetical protein	0.0675	0.1867	0.1867
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.023	0.0617	0.0591
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.023	0.0617	0.0591
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1198	0.3334	0.3251
Onchocerca volvulus		0.023	0.0617	0.5
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.023	0.0617	1
Plasmodium vivax	hypothetical protein, conserved	0.023	0.0617	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3049	0.8533	0.8533
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.023	0.0617	0.0591
Schistosoma mansoni	immunophilin	0.0054	0.0122	0.0122
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.023	0.0617	0.0617
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.023	0.0617	0.0617
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.3571	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.023	0.0617	0.0617
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1198	0.3334	0.3315
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.023	0.0617	0.0617
Schistosoma mansoni	hypothetical protein	0.0522	0.1437	0.1437
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.023	0.0617	0.076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.284	0.7948	0.7948
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.023	0.0617	0.076
Mycobacterium ulcerans	naphthoate synthase	0.0357	0.0973	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1928	0.5386	0.5386
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2656	0.743	0.743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.1867	0.1867
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.023	0.0617	0.0617
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.023	0.0617	0.0617
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0067	0.0067
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.023	0.0617	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0728	0.2014	0.2014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.122	0.122
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.002	0.0027	0.0027
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0054	0.0122	0.0094
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0958	0.2661	0.2661
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2113	0.5904	0.5904
Loa Loa (eye worm)	phosphatidylinositol 3	0.023	0.0617	0.0617
Echinococcus granulosus	nervana 2	0.002	0.0027	0.0027
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0675	0.1867	0.1844
Entamoeba histolytica	protein kinase, putative	0.0033	0.0063	0.0063
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0675	0.1867	0.1867
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0054	0.0122	0.0122
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1198	0.3334	0.3334
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1198	0.3334	0.3334
Schistosoma mansoni	serine/threonine-protein kinase	0.0023	0.0034	0.0034
Trichomonas vaginalis	conserved hypothetical protein	0.0753	0.2084	0.2084
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0047	0.0101	0.0101
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.0067	0.0067
Echinococcus multilocularis	rac serine:threonine kinase	0.0023	0.0034	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.023	0.0617	0.0617
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0054	0.0122	0.0122
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.023	0.0617	0.0617
Brugia malayi	FAT domain containing protein	0.0522	0.1437	0.1437
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0006	0.0006
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.023	0.0617	0.0558
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.023	0.0617	0.0591
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1198	0.3334	0.3334
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0675	0.1867	0.1867
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.3571	1	1
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0054	0.0122	0.1596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.1867	0.1867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2656	0.743	0.743
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0101	0.0101
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.023	0.0617	0.0617
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.3571	1	1
Entamoeba histolytica	protein kinase rad3, putative	0.0675	0.1867	0.1867
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.023	0.0617	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1928	0.5386	0.5386
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.023	0.0617	0.0617
Loa Loa (eye worm)	phosphatidylinositol 3	0.023	0.0617	0.0617
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0063	0.0063
Brugia malayi	p70 ribosomal S6 kinase beta	0.0031	0.0057	0.0057
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.023	0.0617	0.0617
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0054	0.0122	0.0122
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.023	0.0617	0.0558
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.023	0.0617	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2134	0.5963	0.5963
Loa Loa (eye worm)	hypothetical protein	0.0522	0.1437	0.1437
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.023	0.0617	0.0617
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0445	0.122	0.1195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1925	0.5378	0.5378
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.023	0.0617	0.0617
Mycobacterium leprae	PROBABLE NAPHTHOATE SYNTHASE MENB (DIHYDROXYNAPHTHOIC ACID SYNTHETASE) (DHNA SYNTHETASE)	0.0357	0.0973	1
Entamoeba histolytica	hypothetical protein	0.023	0.0617	0.0617
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0054	0.0122	0.0122
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.023	0.0617	0.0617
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0054	0.0122	0.0122
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.023	0.0617	0.0501
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2113	0.5904	0.5904
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.3571	1	1
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0054	0.0122	0.006
Echinococcus multilocularis	Zinc finger, PHD finger	0.023	0.0617	0.0617
Leishmania major	hypothetical protein, conserved	0.023	0.0617	0.0501
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.023	0.0617	0.0591
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0675	0.1867	0.1867
Echinococcus multilocularis	nervana 2	0.002	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0753	0.2084	0.2084
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.023	0.0617	0.0591
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0522	0.1437	0.1437
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2395	0.6698	0.6698
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.023	0.0617	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2656	0.743	0.743
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0054	0.0122	0.5
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0522	0.1437	0.1437
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.023	0.0617	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2656	0.743	0.743
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.023	0.0617	0.0617
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.023	0.0617	0.0617
Loa Loa (eye worm)	phosphatidylinositol 3	0.023	0.0617	0.0617
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.023	0.0617	0.0591
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.023	0.0617	0.0591
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2656	0.743	0.743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2656	0.743	0.743
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.023	0.0617	0.0617
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0031	0.0057	0.0057
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.3571	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0753	0.2084	0.2749
Trichomonas vaginalis	immunophilin, putative	0.0054	0.0122	0.0122
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.023	0.0617	0.0617
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.023	0.0617	0.0617
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0054	0.0122	0.0094
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.023	0.0617	0.0617
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.023	0.0617	0.0617
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0063	0.0063
Entamoeba histolytica	protein kinase, putative	0.0033	0.0063	0.0063
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0063	0.0063
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.023	0.0617	0.0617
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0675	0.1867	0.1867
Trichomonas vaginalis	conserved hypothetical protein	0.0522	0.1437	0.1437
Trichomonas vaginalis	fk506-binding protein, putative	0.0054	0.0122	0.0122
Entamoeba histolytica	hypothetical protein	0.023	0.0617	0.0617
Entamoeba histolytica	protein kinase 2, putative	0.0021	0.0028	0.0028
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0054	0.0122	0.006
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.0074	0.0074
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.023	0.0617	0.0617
Echinococcus multilocularis		0.023	0.0617	0.0617
Loa Loa (eye worm)	hypothetical protein	0.023	0.0617	0.0617
Toxoplasma gondii	target of rapamycin (TOR), putative	0.2656	0.743	1
Toxoplasma gondii	FATC domain-containing protein	0.0675	0.1867	0.2455
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.023	0.0617	0.0591
Loa Loa (eye worm)	FKBP5 protein	0.0054	0.0122	0.0122
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.023	0.0617	0.0617
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0037	0.0074	0.0074
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0675	0.1867	0.1844
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.023	0.0617	0.0591
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0054	0.0122	0.0122
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.023	0.0617	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.284	0.7948	0.7948
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1928	0.5386	0.5386
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.023	0.0617	0.0558
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1925	0.5378	0.5378
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0675	0.1867	0.1867
Loa Loa (eye worm)	phosphatidylinositol 3	0.1198	0.3334	0.3334
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.0074	0.0074
Brugia malayi	Protein kinase domain containing protein	0.0033	0.0063	0.0063
Giardia lamblia	Phosphatidylinositol 4-kinase	0.023	0.0617	0.0591
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.023	0.0617	0.0617
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1689	0.4713	0.468
Trichomonas vaginalis	PIKK family atypical protein kinase	0.284	0.7948	0.7948
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0021	0.0028	0.0028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1928	0.5386	0.5386
Loa Loa (eye worm)	phosphatidylinositol 3	0.023	0.0617	0.0617
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1198	0.3334	0.3315
Trypanosoma cruzi	Protein kinase B	0.0023	0.0034	0.0006
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0675	0.1867	0.1867
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.023	0.0617	0.0617
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.002	0.0027	0.0027
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.023	0.0617	0.0617
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.023	0.0617	0.0617
Schistosoma mansoni	hypothetical protein	0.023	0.0617	0.0617
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3571	1	1
Leishmania major	hypothetical protein, unknown function	0.023	0.0617	0.0501
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.023	0.0617	0.0617
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0675	0.1867	0.1867
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1198	0.3334	0.3334
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0034	0.0034
Plasmodium vivax	hypothetical protein	0.023	0.0617	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.023	0.0617	0.0617
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0047	0.0101	0.0101
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0054	0.0122	0.0122
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2318	0.6481	0.6481
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.023	0.0617	0.076
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.023	0.0617	0.0617
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.3571	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0063	0.0063
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3571	1	1
Echinococcus granulosus	serine/threonine protein kinase	0.0023	0.0034	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1198	0.3334	0.3334
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.023	0.0617	0.0617
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0037	0.0074	0.0074
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.023	0.0617	0.0617
Loa Loa (eye worm)	phosphatidylinositol 3	0.3571	1	1
Loa Loa (eye worm)	hypothetical protein	0.023	0.0617	0.0617
Schistosoma mansoni	immunophilin	0.0054	0.0122	0.0122
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2134	0.5963	0.5963
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1198	0.3334	0.3334
Schistosoma mansoni	serine/threonine-protein kinase	0.0023	0.0034	0.0034
Schistosoma mansoni	immunophilin	0.0047	0.0101	0.0101
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.3571	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.023	0.0617	0.0617
Onchocerca volvulus		0.023	0.0617	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0021	0.0028	0.0028
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1198	0.3334	0.3334
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0063	0.0063
Loa Loa (eye worm)	phosphatidylinositol kinase	0.023	0.0617	0.0617
Giardia lamblia	Hypothetical protein	0.023	0.0617	0.0591
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1198	0.3334	0.3334
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0054	0.0122	0.0122
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1198	0.3334	0.3292
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.023	0.0617	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.284	0.7948	0.7948
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.023	0.0617	0.0617
Entamoeba histolytica	hypothetical protein	0.023	0.0617	0.0617
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0054	0.0122	0.0094
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0023	0.0034	0.0006
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.023	0.0617	0.0617
Echinococcus granulosus	serine protein kinase ATM	0.0675	0.1867	0.1867
Trichomonas vaginalis	PIKK family atypical protein kinase	0.284	0.7948	0.7948
Leishmania major	phosphatidylinositol kinase related protein, putative	0.023	0.0617	0.0501
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0675	0.1867	0.1816
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.023	0.0617	0.0558
Trypanosoma cruzi	target of rapamycin kinase 3	0.2843	0.7956	0.795
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.023	0.0617	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0032	0.006	0.006
Echinococcus granulosus	serine threonine protein kinase nrc	0.0021	0.0028	0.0028
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0054	0.0122	0.0094
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.023	0.0617	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.2 uM	Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as formation of DHNA-CoA from OSB-CoA by enzyme coupled-assay in presence of Escherichia coli MenE preincubated for 1 hr	ChEMBL.	22267981
IC50 (binding)	> 120 uM	Inhibition of Mycobacterium tuberculosis MenB expressed in Escherichia coli BL21 (DE3) assessed as formation of DHNA-CoA from OSB-CoA by enzyme coupled-assay in presence of Escherichia coli MenE	ChEMBL.	22267981
MIC (functional)	= 25 ug ml-1	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 5 to 7 days under anaerobic condition by microplate dilution assay	ChEMBL.	22267981

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

ChEMBL: CHEMBL2024257

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1635435