TDR Targets

Basic information

Technical information

TDR Targets ID: 1210139
Name: N-(2-chloro-4-methylphenyl)-2-[6-[(2,5-dimeth ylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan -2-yl]acetamide
MW: 435.967 | Formula: C21H26ClN3O3S
H donors: 1 H acceptors: 3 LogP: 3.67 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN1CCCN(S1(=O)=O)Cc1cc(C)ccc1C)Nc1ccc(cc1Cl)C
InChi: 1S/C21H26ClN3O3S/c1-15-5-7-17(3)18(11-15)13-24-9-4-10-25(29(24,27)28)14-21(26)23-20-8-6-16(2)12-19(20)22/h5-8,11-12H,4,9-10,13-14H2,1-3H3,(H,23,26)
InChiKey: LUVDJIXCAATXDB-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

N-(2-chloro-4-methyl-phenyl)-2-[6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
N-(2-chloro-4-methyl-phenyl)-2-[6-(2,5-dimethylbenzyl)-1,1-diketo-1,2,6-thiadiazinan-2-yl]acetamide
N-(2-chloro-4-methyl-phenyl)-2-[6-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]ethanamide
E871-0298
NCGC00125998-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0295	0.1112
Echinococcus multilocularis	lamin dm0	0.008	0.0346	0.0857
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase 1, putative	0.0028	0.0053	1
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0238	0.1258	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Schistosoma mansoni	calpain-7 (C02 family)	0.0028	0.0053	0.0188
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 24	0.0028	0.0053	0.0123
Echinococcus multilocularis	survival motor neuron protein 1	0.0716	0.4005	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0475	0.2619	0.2617
Trypanosoma brucei	DNA polymerase kappa, putative	0.0036	0.0097	0.037
Trichomonas vaginalis	CMGC family protein kinase	0.0475	0.2619	1
Schistosoma mansoni	single-minded	0.0056	0.0214	0.0804
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0311	0.1677	0.1674
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 16	0.0028	0.0053	0.0123
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0064	0.0258	0.0635
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 5	0.0028	0.0053	0.0123
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0238	0.1258	0.5611
Mycobacterium leprae	Conserved hypothetical protein	0.0238	0.1258	0.5
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0311	0.1677	0.6331
Schistosoma mansoni	calpain-7 (C02 family)	0.0028	0.0053	0.0188
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0475	0.2619	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0048	0.0163	0.0431
Leishmania major	ubiqitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0311	0.1677	0.4183
Schistosoma mansoni	ubiquitin-specific peptidase 10 (C19 family)	0.0028	0.0053	0.0188
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0238	0.1258	1
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0028	0.0053	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0311	0.1677	0.1674
Schistosoma mansoni	ubiquitin-specific peptidase 4 (C19 family)	0.0028	0.0053	0.0188
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.0295	0.0727
Trypanosoma brucei	Peptidase C19, ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Loa Loa (eye worm)	ubiquitin specific peptidase 39	0.0028	0.0053	0.0049
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0238	0.1258	0.4695
Echinococcus granulosus	Ubiquitin carboxyl terminal hydrolase 48	0.0028	0.0053	0.0123
Schistosoma mansoni	hypothetical protein	0.0028	0.0053	0.0188
Trypanosoma brucei	DNA polymerase kappa, putative	0.0036	0.0097	0.037
Trichomonas vaginalis	CMGC family protein kinase	0.0475	0.2619	1
Leishmania major	cytochrome p450-like protein	0.0392	0.214	0.815
Schistosoma mansoni	ubiquitin-specific peptidase 44 (C19 family)	0.0028	0.0053	0.0188
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0038	0.011	0.0266
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0038	0.011	0.0266
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase 13, putative	0.0028	0.0053	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Schistosoma mansoni	ubiquitin-specific peptidase 24 (C19 family)	0.0028	0.0053	0.0188
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase 2, putative	0.0028	0.0053	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 7	0.0028	0.0053	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 4	0.0028	0.0053	0.0123
Brugia malayi	PAS domain containing protein	0.0056	0.0214	0.021
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0311	0.1677	0.6399
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Schistosoma mansoni	ubiquitin-specific peptidase 48 (C19 family)	0.0028	0.0053	0.0188
Trypanosoma brucei	DNA polymerase kappa, putative	0.0024	0.003	0.0114
Loa Loa (eye worm)	cytochrome P450 family protein	0.0392	0.214	0.2137
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0146	0.0729	0.0725
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase	0.0028	0.0053	0.0123
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0238	0.1258	0.5611
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0311	0.1677	0.6331
Echinococcus multilocularis	ubiquitin specific peptidase (c family) ubiquitin terminal hydrolase	0.0028	0.0053	0.0123
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0175	0.0894	0.0891
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 24	0.0028	0.0053	0.0123
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 5	0.0028	0.0053	0.0123
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0238	0.1258	0.5611
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 7	0.0028	0.0053	0.0123
Plasmodium falciparum	ubiquitin specific protease, putative	0.0028	0.0053	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 4	0.0028	0.0053	0.0123
Plasmodium vivax	U4/U6.U5 tri-snRNP-associated protein 2, putative	0.0028	0.0053	1
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0238	0.1258	0.5611
Leishmania major	cytochrome p450-like protein	0.0238	0.1258	0.4742
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0238	0.1258	1
Loa Loa (eye worm)	intermediate filament protein	0.008	0.0346	0.0343
Brugia malayi	Intermediate filament tail domain containing protein	0.008	0.0346	0.0343
Brugia malayi	Doublecortin family protein	0.0023	0.0021	0.0017
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 20	0.0028	0.0053	0.0123
Brugia malayi	polk-prov protein	0.0036	0.0097	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0979	0.0975
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.0295	0.0727
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 14	0.0028	0.0053	0.0123
Schistosoma mansoni	ubiquitin carboxyl-terminal hydrolase of the cysteine proteinase fold	0.0028	0.0053	0.0188
Schistosoma mansoni	polycystin 1-related	0.0023	0.0021	0.0066
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 12	0.0028	0.0053	0.0123
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0028	0.0053	0.0049
Trypanosoma brucei	cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0202
Brugia malayi	hypothetical protein	0.0028	0.0053	0.0049
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0295	0.082
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 23	0.0028	0.0053	0.0123
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 47	0.0028	0.0053	0.0123
Schistosoma mansoni	ubiquitin-specific peptidase 46 (C19 family)	0.0028	0.0053	0.0188
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase	0.0028	0.0053	0.0123
Schistosoma mansoni	serine/threonine protein kinase	0.0475	0.2619	1
Schistosoma mansoni	ubiquitin-specific peptidase 16 (C19 family)	0.0028	0.0053	0.0188
Echinococcus multilocularis	Polycystic kidney disease protein	0.0023	0.0021	0.0043
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Trypanosoma cruzi	cytochrome P450, putative	0.0392	0.214	0.8133
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0238	0.1258	0.5611
Echinococcus granulosus	5'partial\|Ubiquitin carboxyl terminal hydrolase 48	0.0028	0.0053	0.0123
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0475	0.2619	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 4	0.0028	0.0053	0.0123
Brugia malayi	intermediate filament protein	0.008	0.0346	0.0343
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0475	0.2619	1
Onchocerca volvulus		0.0146	0.0729	1
Plasmodium falciparum	U4/U6.U5 tri-snRNP-associated protein 2, putative	0.0028	0.0053	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0238	0.1258	1
Echinococcus multilocularis	ubiquitin specific peptidase 42 (C19 family)	0.0028	0.0053	0.0123
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0238	0.1258	1
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0028	0.0053	0.0049
Brugia malayi	Cytochrome P450 family protein	0.0775	0.4343	0.434
Schistosoma mansoni	cytochrome P450	0.0238	0.1258	0.4795
Schistosoma mansoni	loxhd1	0.0023	0.0021	0.0066
Onchocerca volvulus		0.0023	0.0021	0.0238
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Schistosoma mansoni	ubiquitin-specific peptidase 30 (C19 family)	0.0028	0.0053	0.0188
Schistosoma mansoni	hypothetical protein	0.0238	0.1258	0.4795
Onchocerca volvulus		0.0028	0.0053	0.0678
Echinococcus multilocularis	mitogen activated protein kinase	0.0475	0.2619	0.6537
Schistosoma mansoni	rab6-interacting	0.0023	0.0021	0.0066
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0311	0.1677	0.4183
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0238	0.1258	1
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0021	0.0043
Onchocerca volvulus		0.0042	0.013	0.1737
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Echinococcus granulosus	intermediate filament protein	0.008	0.0346	0.0857
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0238	0.1258	0.5611
Schistosoma mansoni	family C19 non-peptidase homologue (C19 family)	0.0028	0.0053	0.0188
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0238	0.1258	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Onchocerca volvulus		0.008	0.0346	0.4727
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 47	0.0028	0.0053	0.0123
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 36	0.0028	0.0053	0.0123
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0238	0.1258	0.5611
Schistosoma mansoni	survival motor neuron protein	0.0146	0.0729	0.2772
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 14	0.0028	0.0053	0.0123
Mycobacterium leprae	putative cytochrome p450	0.0238	0.1258	0.5
Loa Loa (eye worm)	doublecortin family protein	0.0023	0.0021	0.0017
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0311	0.1677	0.6331
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0311	0.1677	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0048	0.0163	0.0431
Brugia malayi	MH2 domain containing protein	0.0144	0.0718	0.0715
Brugia malayi	cytochrome P450	0.0238	0.1258	0.1255
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase 14	0.0028	0.0053	1
Echinococcus granulosus	mitogen activated protein kinase	0.0475	0.2619	0.6537
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0311	0.1677	0.6331
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0021	0.0017
Loa Loa (eye worm)	cytochrome P450	0.0238	0.1258	0.1255
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0238	0.1258	0.5611
Echinococcus multilocularis		0.0238	0.1258	0.3135
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0311	0.1677	0.6363
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0021	0.0043
Onchocerca volvulus		0.0023	0.0021	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0338	0.0335
Loa Loa (eye worm)	hypothetical protein	0.0038	0.011	0.0106
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0043	0.0134	0.0131
Trypanosoma brucei	Peptidase C19, ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Echinococcus granulosus	u4:u6.u5 tri snrnp associated protein 2	0.0028	0.0053	0.0123
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0238	0.1258	0.5611
Schistosoma mansoni	ubiquitin-specific peptidase 9X (C19 family)	0.0028	0.0053	0.0188
Trichomonas vaginalis	CMGC family protein kinase	0.0475	0.2619	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0295	0.082
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0064	0.0258	0.0635
Giardia lamblia	Hypothetical protein	0.0028	0.0053	0.0088
Schistosoma mansoni	ubiquitin-specific peptidase 42 (C19 family)	0.0028	0.0053	0.0188
Trypanosoma cruzi	cytochrome P450, putative	0.0392	0.214	0.8133
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Schistosoma mansoni	intermediate filament proteins	0.008	0.0346	0.1311
Schistosoma mansoni	hypothetical protein	0.0146	0.0729	0.2772
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Echinococcus granulosus	lamin dm0	0.008	0.0346	0.0857
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0238	0.1258	0.5611
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0238	0.1258	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0238	0.1258	1
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0238	0.1258	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 22	0.0028	0.0053	0.0123
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Schistosoma mansoni	ubiquitin-specific peptidase 22 (C19 family)	0.0028	0.0053	0.0188
Brugia malayi	Cytochrome P450 family protein	0.0392	0.214	0.2137
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0718	0.0715
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0392	0.214	1
Echinococcus multilocularis	expressed protein	0.0028	0.0053	0.0123
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0238	0.1258	0.5611
Echinococcus multilocularis	u4:u6.u5 tri snrnp associated protein 2	0.0028	0.0053	0.0123
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0238	0.1258	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0048	0.0163	0.0431
Brugia malayi	hypothetical protein	0.0023	0.0021	0.0017
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0028	0.0053	0.0088
Loa Loa (eye worm)	cytochrome P450 family protein	0.0775	0.4343	0.434
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.008	0.0346	0.0343
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0048	0.0163	0.0431
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0238	0.1258	0.5611
Trypanosoma brucei	DNA polymerase IV, putative	0.0048	0.0163	0.0624
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase 2, putative	0.0028	0.0053	1
Mycobacterium ulcerans	DNA polymerase IV	0.0048	0.0163	0.0168
Trypanosoma brucei	DNA polymerase IV, putative	0.004	0.0119	0.0456
Echinococcus granulosus	survival motor neuron protein 1	0.0716	0.4005	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 7	0.0028	0.0053	0.0123
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0238	0.1258	0.5611
Schistosoma mansoni	lamin	0.008	0.0346	0.1311
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0102	0.0098
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0311	0.1677	0.6363
Onchocerca volvulus		0.0028	0.0053	0.0678
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0475	0.2619	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 36	0.0028	0.0053	0.0123
Trypanosoma brucei	unspecified product	0.004	0.0119	0.0456
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 12	0.0028	0.0053	0.0123
Trichomonas vaginalis	DNA polymerase eta, putative	0.0048	0.0163	0.0431
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0238	0.1258	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0097	0.0093
Trichomonas vaginalis	CMGC family protein kinase	0.0475	0.2619	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0475	0.2619	1
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase 46	0.0028	0.0053	0.0049
Brugia malayi	MAP kinase sur-1	0.0475	0.2619	0.2617
Schistosoma mansoni	aryl hydrocarbon receptor	0.0056	0.0214	0.0804
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.0295	0.0942
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Echinococcus granulosus	cytochrome P450 2K1	0.0238	0.1258	0.3135
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0238	0.1258	0.5611
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0238	0.1258	0.5611
Echinococcus granulosus	ubiquitin specific peptidase c family	0.0028	0.0053	0.0123
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Schistosoma mansoni	ubiquitin-specific peptidase 14 (C19 family)	0.0028	0.0053	0.0188
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0028	0.0053	0.0049
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0028	0.0053	0.0049
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0102	0.0098
Echinococcus granulosus	mitogen activated protein kinase 3	0.0475	0.2619	0.6537
Loa Loa (eye worm)	hypothetical protein	0.0153	0.0772	0.0768
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0238	0.1258	0.4695
Echinococcus multilocularis	lamin	0.008	0.0346	0.0857
Loa Loa (eye worm)	cytochrome P450 family protein	0.0392	0.214	0.2137
Trypanosoma brucei	protein kinase, putative	0.0475	0.2619	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 4	0.0028	0.0053	0.0123
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 16	0.0028	0.0053	0.0123
Echinococcus multilocularis	Ubiquitin carboxyl terminal hydrolase 48	0.0028	0.0053	0.0123
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0028	0.0053	0.0088
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.1759	1	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Brugia malayi	hypothetical protein	0.0189	0.0979	0.0975
Schistosoma mansoni	lipoxygenase	0.0023	0.0021	0.0066
Onchocerca volvulus		0.008	0.0346	0.4727
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Leishmania major	cytochrome p450-like protein	0.0238	0.1258	0.4742
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 4	0.0028	0.0053	0.0123
Brugia malayi	bHLH-PAS transcription factor	0.0042	0.013	0.0126
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase 13, putative	0.0028	0.0053	1
Echinococcus granulosus	lamin	0.008	0.0346	0.0857
Trypanosoma brucei	cytochrome P450, putative	0.0392	0.214	0.8171
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0238	0.1258	0.5611
Mycobacterium ulcerans	DNA polymerase IV	0.0048	0.0163	0.0168
Echinococcus multilocularis	transfer RNA-Lys	0.0042	0.013	0.0315
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0475	0.2619	0.6537
Plasmodium vivax	ubiquitin specific protease, putative	0.0028	0.0053	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 22	0.0028	0.0053	0.0123
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase family 2, putative	0.0028	0.0053	1
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Echinococcus multilocularis	RUN	0.0023	0.0021	0.0043
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0238	0.1258	0.4695
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0238	0.1258	1
Schistosoma mansoni	lamin	0.008	0.0346	0.1311
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0238	0.1258	0.4742
Brugia malayi	ubiquitin carboxyl-terminal hydrolase 46	0.0028	0.0053	0.0049
Schistosoma mansoni	ubiquitin-specific peptidase 9X (C19 family)	0.0028	0.0053	0.0188
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Brugia malayi	hypoxia-induced factor 1	0.0175	0.0894	0.0891
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0311	0.1677	0.4183
Onchocerca volvulus		0.0028	0.0053	0.0678
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0311	0.1677	0.6405
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Schistosoma mansoni	ubiquitin-specific peptidase 5 (C19 family)	0.0028	0.0053	0.0188
Brugia malayi	ubiquitin specific protease 14	0.0028	0.0053	0.0049
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0475	0.2619	1
Schistosoma mansoni	ubiquitin-specific peptidase 7 (C19 family)	0.0028	0.0053	0.0188
Schistosoma mansoni	family C19 unassigned peptidase (C19 family)	0.0028	0.0053	0.0188
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Echinococcus granulosus	single minded 2	0.0042	0.013	0.0315
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0238	0.1258	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0475	0.2619	1
Brugia malayi	Cytochrome P450 family protein	0.0238	0.1258	0.1255
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Schistosoma mansoni	lipoxygenase	0.0064	0.0258	0.0972
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0238	0.1258	1
Echinococcus granulosus	ubiquitin specific peptidase 30 (C19 family)	0.0028	0.0053	0.0123
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0053	1
Echinococcus multilocularis	ubiquitin specific protease 41	0.0311	0.1677	0.4183
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.0295	0.1022
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0048	0.0163	0.0431
Plasmodium falciparum	ubiquitin specific protease, putative	0.0028	0.0053	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 20	0.0028	0.0053	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0475	0.2619	1
Brugia malayi	hypothetical protein	0.0716	0.4005	0.4003
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	1
Trichomonas vaginalis	conserved hypothetical protein	0.0311	0.1677	0.6331
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0238	0.1258	0.5611
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Echinococcus multilocularis	dna polymerase kappa	0.0048	0.0163	0.0399
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0053	0.0049
Brugia malayi	cytoplasmic intermediate filament protein	0.0043	0.0134	0.0131
Giardia lamblia	Kinase, CMGC MAPK	0.0475	0.2619	1
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0238	0.1258	0.5611
Loa Loa (eye worm)	hypothetical protein	0.008	0.0346	0.0343
Schistosoma mansoni	hypothetical protein	0.0023	0.0021	0.0066
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.0295	0.2155
Echinococcus granulosus	Polycystic kidney disease protein	0.0023	0.0021	0.0043
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 4	0.0028	0.0053	0.0123
Schistosoma mansoni	ubiquitin-specific peptidase 45 (C19 family)	0.0028	0.0053	0.0188
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0238	0.1258	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0048	0.0163	0.0624
Brugia malayi	hypothetical protein	0.0023	0.0021	0.0017
Echinococcus granulosus	dna polymerase kappa	0.0048	0.0163	0.0399
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0295	0.1112
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0021	0.0043
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0238	0.1258	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0048	0.0163	0.0624
Schistosoma mansoni	peptidase	0.0033	0.0078	0.0282
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0295	0.082
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0028	0.0053	0.0088
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0238	0.1258	1
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0238	0.1258	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0238	0.1258	0.5611
Loa Loa (eye worm)	CYP4Cod1	0.0392	0.214	0.2137
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0028	0.0053	0.0049
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0311	0.1677	0.6399
Echinococcus multilocularis	musashi	0.008	0.0346	0.0857
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Schistosoma mansoni	rab6-interacting	0.0023	0.0021	0.0066
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0028	0.0053	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0716	0.4005	0.4003
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0028	0.0053	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0021	0.0017
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0238	0.1258	0.4802
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	1
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0238	0.1258	0.5611
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0028	0.0053	0.0049
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0311	0.1677	0.4183
Echinococcus granulosus	RUN	0.0023	0.0021	0.0043
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0238	0.1258	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0238	0.1258	0.4695
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0028	0.0053	0.0088
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0028	0.0053	0.0202
Echinococcus granulosus	ubiquitin specific protease 41	0.0311	0.1677	0.4183
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 7	0.0028	0.0053	0.0123
Giardia lamblia	DUB-1	0.0028	0.0053	0.0088
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0021	0.0043
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0718	0.0715
Brugia malayi	Cytochrome P450 family protein	0.0392	0.214	0.2137

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2239 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.2387 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	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: CHEMBL1358082

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1210139