TDR Targets

Basic information

Technical information

TDR Targets ID: 1527049
Name: 4-cyclohexyl-N-(4-methylphenyl)piperazine-1-c arbothioamide
MW: 317.492 | Formula: C18H27N3S
H donors: 1 H acceptors: 0 LogP: 3.7 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: S=C(N1CCN(CC1)C1CCCCC1)Nc1ccc(cc1)C
InChi: 1S/C18H27N3S/c1-15-7-9-16(10-8-15)19-18(22)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,19,22)
InChiKey: OCWHLSZDUOYRJJ-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

4-cyclohexyl-N-(4-methylphenyl)-1-piperazinecarbothioamide
MLS000582642
SMR000200991

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	cytochrome P450	0.0013	0.0023	0.0023
Mycobacterium ulcerans	hypothetical protein	0.0066	0.0453	0.0637
Toxoplasma gondii	FAD binding domain-containing protein	0.0066	0.0453	0.2058
Echinococcus multilocularis	heat shock protein	0.0037	0.0218	0.0235
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0218	0.4519
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Loa Loa (eye worm)	cytochrome P450	0.0013	0.0023	0.0022
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0097	0.0097
Trypanosoma brucei	heat shock protein 90, putative	0.0037	0.0218	0.4519
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0097	0.1701
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0097	0.0103
Echinococcus granulosus	geminin	0.0192	0.1474	0.1594
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0029	0.0157	0.0169
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0097	0.0353
Echinococcus granulosus	dna polymerase eta	0.0022	0.0097	0.0103
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0015	0.0042	0.0044
Schistosoma mansoni	monoxygenase	0.0066	0.0453	0.0466
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0097	0.0079
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0109	0.0414
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0271	0.2112	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0005	0.0004
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0183	0.0182
Mycobacterium ulcerans	dehydrogenase	0.0269	0.2096	0.3069
Echinococcus granulosus	heat shock protein	0.0037	0.0218	0.0235
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0218	0.4519
Schistosoma mansoni	endoplasmin	0.0037	0.0218	0.0211
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Schistosoma mansoni	DNA polymerase eta	0.0022	0.0097	0.0079
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Plasmodium vivax	hypothetical protein, conserved	0.0269	0.2096	1
Trypanosoma brucei	unspecified product	0.0022	0.0097	0.1701
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0029	0.0157	0.1039
Leishmania major	UDP-galactopyranose mutase	0.0269	0.2096	1
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0218	0.4519
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0097	0.0096
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0097	0.0097
Toxoplasma gondii	SWIRM domain-containing protein	0.0094	0.0678	0.3134
Mycobacterium tuberculosis	Possible oxidoreductase	0.0066	0.0453	0.0939
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0097	0.0096
Echinococcus granulosus	protein MICAL 3	0.0066	0.0453	0.049
Plasmodium vivax	FAD-dependent monooxygenase, putative	0.0066	0.0453	0.2004
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.0109	0.0127
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0218	0.4519
Leishmania major	heat shock protein, putative	0.0015	0.0042	0.0088
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0022	0.0097	0.016
Echinococcus granulosus	heat shock protein 90	0.0029	0.0157	0.0169
Giardia lamblia	hypothetical protein	0.0094	0.0678	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0029	0.0157	0.0644
Loa Loa (eye worm)	endoplasmin	0.0037	0.0218	0.0217
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Schistosoma mansoni	amine oxidase	0.0269	0.2096	0.2249
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0097	0.0108
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Mycobacterium tuberculosis	Possible oxidoreductase	0.0066	0.0453	0.0939
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0097	0.1701
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Toxoplasma gondii	heat shock protein 75, putative	0.0015	0.0042	0.0088
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.1244	1	1
Brugia malayi	SWIRM domain containing protein	0.0094	0.0678	0.0678
Echinococcus multilocularis		0.0013	0.0023	0.0024
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0097	0.0103
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0218	0.4519
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0269	0.2096	0.2268
Trypanosoma cruzi	Monooxygenase, putative	0.0066	0.0453	0.2074
Trypanosoma brucei	heat shock protein 84, putative	0.0015	0.0042	0.0425
Trypanosoma cruzi	heat shock protein 90, putative	0.0029	0.0157	0.0644
Trypanosoma brucei	Heat shock protein 83, putative	0.0037	0.0218	0.4519
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.0678	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0269	0.2096	0.4528
Mycobacterium ulcerans	DNA polymerase IV	0.0022	0.0097	0.0108
Trypanosoma brucei	Monooxygenase, putative	0.0066	0.0453	1
Trypanosoma brucei	heat shock protein 90, putative	0.0037	0.0218	0.4519
Entamoeba histolytica	SWIRM domain protein	0.0094	0.0678	1
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0183	0.0183
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.115	0.9241	1
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0109	0.0414
Schistosoma mansoni	heat shock protein	0.0015	0.0042	0.002
Brugia malayi	Endoplasmin precursor	0.0037	0.0218	0.0218
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0097	0.016
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0037	0.0218	0.2083
Schistosoma mansoni	cpg binding protein	0.0034	0.0198	0.0189
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Schistosoma mansoni	cpg binding protein	0.0034	0.0198	0.0189
Trichomonas vaginalis	heat shock protein, putative	0.0037	0.0218	0.2766
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0069	0.0478	0.0494
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0269	0.2096	0.2249
Leishmania major	DNA polymerase kappa, putative	0.0022	0.0097	0.0353
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0109	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0269	0.2096	0.2096
Mycobacterium ulcerans	oxidoreductase	0.0066	0.0453	0.0637
Schistosoma mansoni	heat shock protein	0.0037	0.0218	0.0211
Mycobacterium ulcerans	hypothetical protein	0.0066	0.0453	0.0637
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Entamoeba histolytica	SWIRM domain protein	0.0094	0.0678	1
Echinococcus multilocularis	geminin	0.0192	0.1474	0.1594
Toxoplasma gondii	FAD binding domain-containing protein	0.0066	0.0453	0.2058
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0042	0.0423
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0097	0.0103
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0578	0.4601	1
Loa Loa (eye worm)	heat shock protein 75	0.0015	0.0042	0.0041
Echinococcus multilocularis	dna polymerase eta	0.0022	0.0097	0.0103
Trichomonas vaginalis	heat shock protein, putative	0.0029	0.0157	0.1812
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Wolbachia endosymbiont of Brugia malayi	2-polyprenyl-6-methoxyphenol 4-hydroxylase	0.0066	0.0453	1
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Mycobacterium ulcerans	FAD-linked oxidoreductase	0.0066	0.0453	0.0637
Mycobacterium tuberculosis	Possible oxidoreductase	0.0066	0.0453	0.0939
Trypanosoma cruzi	Heat shock protein 83, putative	0.0037	0.0218	0.0937
Mycobacterium ulcerans	FAD-dependent oxidoreductase	0.0066	0.0453	0.0637
Schistosoma mansoni	hypothetical protein	0.0192	0.1474	0.1574
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0269	0.2096	0.3069
Schistosoma mansoni	hypothetical protein	0.0066	0.0453	0.0466
Toxoplasma gondii	histone lysine-specific demethylase	0.0269	0.2096	0.9923
Echinococcus granulosus	lysine specific histone demethylase 1A	0.115	0.9241	1
Plasmodium falciparum	protoporphyrinogen oxidase	0.0269	0.2096	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0097	0.0862
Leishmania major	DNA polymerase eta, putative	0.0022	0.0097	0.0353
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0097	0.0353
Echinococcus granulosus	SWI:SNF complex subunit SMARCC2	0.0094	0.0678	0.0733
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0097	0.0353
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0269	0.2096	1
Trichomonas vaginalis	heat shock protein, putative	0.0029	0.0157	0.1812
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0269	0.2096	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0269	0.2096	0.4528
Schistosoma mansoni	hypothetical protein	0.0192	0.1474	0.1574
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0097	0.0862
Trypanosoma cruzi	heat shock protein 85, putative	0.0037	0.0218	0.0937
Brugia malayi	Cytochrome P450 family protein	0.0036	0.021	0.021
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Brugia malayi	heat shock protein 90	0.0037	0.0218	0.0218
Plasmodium vivax	hypothetical protein, conserved	0.0269	0.2096	1
Trypanosoma cruzi	heat shock protein, putative	0.0015	0.0042	0.0088
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0846	0.6778	1
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0097	0.0103
Echinococcus granulosus	ubiquinone biosynthesis monooxygenase COQ6	0.0066	0.0453	0.049
Trypanosoma cruzi	hypothetical protein, conserved	0.0066	0.0453	0.2074
Loa Loa (eye worm)	hypothetical protein	0.115	0.9241	0.9241
Mycobacterium leprae	possibleputative FAD-linked oxidoreductase	0.0066	0.0453	0.2074
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0109	0.0109
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.115	0.9241	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0042	0.0423
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0022	0.0097	0.0353
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.021	0.0209
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0678	0.0677
Trypanosoma cruzi	DNA polymerase eta, putative	0.0022	0.0097	0.0353
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0218	0.4519
Echinococcus multilocularis	SWI:SNF complex subunit SMARCC2	0.0094	0.0678	0.0733
Entamoeba histolytica	hypothetical protein	0.0094	0.0678	1
Giardia lamblia	Grp94/Hsp90	0.0029	0.0157	0.1039
Trypanosoma brucei	kynurenine 3-monooxygenase, putative	0.0066	0.0453	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0022	0.0097	0.0353
Treponema pallidum	heat shock protein 90	0.0029	0.0157	0.5
Plasmodium falciparum	endoplasmin, putative	0.0023	0.0102	0.0296
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0097	0.0862
Loa Loa (eye worm)	hypothetical protein	0.115	0.9241	0.9241
Mycobacterium ulcerans	oxidoreductase	0.0269	0.2096	0.3069
Echinococcus granulosus	endoplasmin	0.0029	0.0157	0.0169
Echinococcus multilocularis	endoplasmin	0.0029	0.0157	0.0169
Onchocerca volvulus		0.1244	1	1
Mycobacterium ulcerans	hypothetical protein	0.0066	0.0453	0.0637
Echinococcus multilocularis	protein MICAL 3	0.0066	0.0453	0.049
Toxoplasma gondii	heat shock protein 90, putative	0.0037	0.0218	0.093
Mycobacterium ulcerans	membrane-associated oxidoreductase	0.0066	0.0453	0.0637
Trichomonas vaginalis	conserved hypothetical protein	0.0094	0.0678	1
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0269	0.2096	1
Mycobacterium ulcerans	heat shock protein 90	0.0029	0.0157	0.0198
Mycobacterium tuberculosis	Probable oxidoreductase	0.0066	0.0453	0.0939
Plasmodium vivax	endoplasmin, putative	0.0037	0.0218	0.0857
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0453	0.0452
Trypanosoma cruzi	heat shock protein 90, putative	0.0037	0.0218	0.0937
Plasmodium falciparum	heat shock protein 90	0.0037	0.0218	0.0857
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0023	0.0023
Plasmodium vivax	hypothetical protein, conserved	0.0066	0.0453	0.2004
Echinococcus multilocularis	ubiquinone biosynthesis monooxygenase COQ6	0.0066	0.0453	0.049
Echinococcus multilocularis	cpg binding protein	0.0034	0.0198	0.0213
Schistosoma mansoni	SWI/SNF complex-related	0.0094	0.0678	0.071
Leishmania major	hypothetical protein, conserved	0.0066	0.0453	0.2074
Trypanosoma brucei	unspecified product	0.0015	0.0042	0.0423
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0097	0.1701
Echinococcus granulosus	cytochrome P450 2K1	0.0013	0.0023	0.0024
Echinococcus multilocularis	heat shock protein 90	0.0037	0.0218	0.0235
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0097	0.0079
Loa Loa (eye worm)	heat shock protein 90	0.0037	0.0218	0.0217
Schistosoma mansoni	heat shock protein	0.0037	0.0218	0.0211
Trypanosoma cruzi	heat shock protein 85, putative	0.0037	0.0218	0.0937
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0109	0.0108
Trypanosoma brucei	DNA polymerase kappa, putative	0.0015	0.0042	0.0423
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0109	0.0108
Echinococcus granulosus	cpg binding protein	0.0034	0.0198	0.0213
Mycobacterium ulcerans	oxidoreductase GMC-type	0.0066	0.0453	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0362	0.2855	0.2854
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.0419	0.1892
Toxoplasma gondii	Hsp90 domain-containing protein	0.0015	0.0042	0.0088
Onchocerca volvulus		0.0033	0.0183	0.0142
Plasmodium falciparum	FAD-dependent monooxygenase, putative	0.0066	0.0453	0.2004
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0269	0.2096	1
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Toxoplasma gondii	heat shock protein HSP90	0.0037	0.0218	0.093
Trichomonas vaginalis	heat shock protein, putative	0.0023	0.0102	0.0954
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0015	0.0042	0.0044
Leishmania major	cytochrome p450-like protein	0.0023	0.0109	0.0414
Mycobacterium ulcerans	oxidoreductase	0.0066	0.0453	0.0637
Mycobacterium ulcerans	monoamine oxidase	0.0269	0.2096	0.3069
Schistosoma mansoni	endoplasmin	0.0037	0.0218	0.0211
Trichomonas vaginalis	heat shock protein, putative	0.0029	0.0157	0.1812
Brugia malayi	hypothetical protein	0.0269	0.2096	0.2096
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Entamoeba histolytica	heat shock protein 90, putative	0.0037	0.0218	0.2766
Echinococcus multilocularis		0.0269	0.2096	0.2268
Trypanosoma cruzi	heat shock protein 85, putative	0.0029	0.0157	0.0644
Brugia malayi	amine oxidase, flavin-containing family protein	0.0362	0.2855	0.2855
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0029	0.0157	0.0292
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0269	0.2096	1
Leishmania major	heat shock protein 83-1	0.0037	0.0218	0.0937
Echinococcus multilocularis	heat shock protein 90	0.0029	0.0157	0.0169
Trypanosoma cruzi	heat shock protein 90, putative	0.0022	0.0096	0.0348
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0269	0.2096	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0066	0.0453	0.0939
Entamoeba histolytica	heat shock protein 90, putative	0.0037	0.0218	0.2766
Plasmodium vivax	heat shock protein 86, putative	0.0037	0.0218	0.0857
Trypanosoma cruzi	heat shock protein 85, putative	0.0037	0.0218	0.0937
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0269	0.2096	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Schistosoma mansoni	amine oxidase	0.0269	0.2096	0.2249
Echinococcus granulosus	heat shock protein 90	0.0037	0.0218	0.0235
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0218	0.4519
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0269	0.2096	0.2268
Trypanosoma brucei	heat shock protein, putative	0.0037	0.0218	0.4519
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0846	0.6778	1
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.0109	0.1994
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0097	0.1701
Brugia malayi	Hsp90 protein	0.0015	0.0042	0.0042
Leishmania major	hypothetical protein, conserved	0.0066	0.0453	0.2074
Schistosoma mansoni	cpg binding protein	0.0033	0.0183	0.0173
Trypanosoma brucei	unspecified product	0.0015	0.0042	0.0423
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0269	0.2096	1
Loa Loa (eye worm)	hypothetical protein	0.0269	0.2096	0.2096
Trichomonas vaginalis	endoplasmin, putative	0.0023	0.0102	0.0954
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0097	0.1701
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0029	0.0157	0.0644

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 6.309573445 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 10 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 14.12537545 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference

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.

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: CHEMBL1741628

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1527049