TDR Targets

Basic information

Technical information

TDR Targets ID: 1209777
Name: [2-[[2-(benzoyl)-4-chlorophenyl]amino]-2-oxoe thyl] 4-(carbamoylamino)benzoate
MW: 451.859 | Formula: C23H18ClN3O5
H donors: 3 H acceptors: 4 LogP: 3.8 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1C(=O)c1ccccc1)Cl)COC(=O)c1ccc(cc1)NC(=O)N
InChi: 1S/C23H18ClN3O5/c24-16-8-11-19(18(12-16)21(29)14-4-2-1-3-5-14)27-20(28)13-32-22(30)15-6-9-17(10-7-15)26-23(25)31/h1-12H,13H2,(H,27,28)(H3,25,26,31)
InChiKey: ZXGXORYJQYRNBD-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

[2-[[2-(benzoyl)-4-chloro-phenyl]amino]-2-oxo-ethyl] 4-ureidobenzoate
4-ureidobenzoic acid [2-[[4-chloro-2-(oxo-phenylmethyl)phenyl]amino]-2-oxoethyl] ester
4-ureidobenzoic acid [2-[[2-(benzoyl)-4-chloro-phenyl]amino]-2-keto-ethyl] ester
[2-[(4-chloro-2-phenylcarbonyl-phenyl)amino]-2-oxo-ethyl] 4-(aminocarbonylamino)benzoate
ZINC02652329
MLS000335715
SMR000253469
T5244170

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	polymerase (DNA directed), eta	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Brugia malayi	ImpB/MucB/SamB family protein	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania infantum	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania braziliensis	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Candida albicans	similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	ko:K03509 DNA polymerase eta subunit, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Cryptosporidium parvum	DinB/family X-type DNA polymerase	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania mexicana	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus granulosus	dna polymerase eta	Get druggable targets OG5_128521	All targets in OG5_128521
Toxoplasma gondii	ImpB/MucB/SamB family protein	Get druggable targets OG5_128521	All targets in OG5_128521
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	DNA polymerase eta	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania major	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania major	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Trypanosoma cruzi	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Candida albicans	similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions	Get druggable targets OG5_128521	All targets in OG5_128521
Trypanosoma brucei gambiense	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Neospora caninum	Pc21g17280 protein, related	Get druggable targets OG5_128521	All targets in OG5_128521
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania braziliensis	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Trypanosoma cruzi	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Leishmania infantum	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Leishmania mexicana		Get druggable targets OG5_128521	All targets in OG5_128521
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	dna polymerase eta	Get druggable targets OG5_128521	All targets in OG5_128521
Schistosoma japonicum	ko:K03509 DNA polymerase eta subunit, putative	Get druggable targets OG5_128521	All targets in OG5_128521
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Trypanosoma brucei	DNA polymerase eta, putative	Get druggable targets OG5_128521	All targets in OG5_128521

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
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0027	0.0118	0.0202
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0027	0.0118	0.0202
Schistosoma mansoni	nuclear receptor	0.0013	0.002	0.002
Brugia malayi	photoreceptor-specific nuclear receptor	0.0027	0.0118	0.0202
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0013	0.002	0.002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0044	0.0068
Brugia malayi	hypothetical protein	0.0018	0.0061	0.0104
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0013	0.002	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0131	0.0224
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0013	0.002	0.018
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0027	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0014	0.0031	0.0053
Echinococcus multilocularis	acetylcholinesterase	0.0054	0.0307	0.0307
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0027	0.0118	0.0202
Plasmodium falciparum	thioredoxin reductase	0.0037	0.019	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0027	0.0118	0.1041
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0021	0.0036
Brugia malayi	hypothetical protein	0.0013	0.002	0.0035
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0094	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0031	0.0053
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0027	0.0118	0.0118
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0013	0.002	0.002
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.3341	0.3341
Brugia malayi	Choline O-acetyltransferase	0.0174	0.1135	0.1945
Schistosoma mansoni	choline o-acyltransferase	0.0174	0.1135	0.1135
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0013	0.0021	0.0021
Onchocerca volvulus	Bile acid receptor homolog	0.0027	0.0118	0.1041
Brugia malayi	Carboxylesterase family protein	0.0054	0.0307	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0307	0.0526
Trypanosoma cruzi	hypothetical protein, conserved	0.0174	0.1135	0.3139
Echinococcus granulosus	acetylcholinesterase	0.0054	0.0307	0.0307
Schistosoma mansoni	cpg binding protein	0.0037	0.0186	0.0186
Schistosoma mansoni	nuclear receptor nhr-48	0.0013	0.002	0.002
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0131	0.2979
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0094	0.128
Leishmania major	DNA polymerase eta, putative	0.0054	0.0306	0.0802
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0027	0.0118	0.0202
Brugia malayi	glutaminase DH11.1	0.0269	0.1787	0.3064
Schistosoma mansoni	hypothetical protein	0.0013	0.0021	0.0021
Trypanosoma cruzi	DNA polymerase eta, putative	0.0054	0.0306	0.0802
Trypanosoma brucei	DNA polymerase eta, putative	0.0054	0.0306	0.0876
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0174	0.1135	0.3429
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0013	0.0022	0.0022
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0044	0.0068
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0013	0.0022	0.0022
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0131	0.6475
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Brugia malayi	ecdysone receptor	0.0013	0.002	0.0035
Leishmania major	hypothetical protein, conserved	0.0029	0.0131	0.0306
Brugia malayi	nuclear receptor NHR-67	0.0013	0.002	0.0035
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0014	0.0031	0.0031
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0013	0.002	0.002
Trypanosoma cruzi	hypothetical protein, conserved	0.0174	0.1135	0.3139
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0031	0.0053
Echinococcus multilocularis	carboxylesterase 5A	0.0054	0.0307	0.0307
Loa Loa (eye worm)	steroid hormone receptor	0.0027	0.0118	0.0202
Brugia malayi	Steroid receptor seven-up type 2	0.0027	0.0118	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0118	0.0202
Leishmania major	trypanothione reductase	0.0037	0.019	0.0473
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0518	0.8837
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0118	0.0118
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.0584	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0027	0.0118	0.0118
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0007	0.0012
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0027	0.0118	0.0118
Brugia malayi	conserved hypotetical protein	0.0013	0.002	0.0035
Echinococcus multilocularis	cpg binding protein	0.0037	0.0186	0.0186
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Brugia malayi	Choline O-acetyltransferase	0.0174	0.1135	0.1945
Brugia malayi	hypothetical protein	0.0013	0.002	0.0035
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0027	0.0118	0.0202
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0027	0.0118	0.0202
Brugia malayi	Nuclear hormone receptor-like 1	0.0027	0.0118	0.0202
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0094	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0027	0.0118	0.0118
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0027	0.0118	0.0118
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0174	0.1135	0.1945
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0007	0.0007
Loa Loa (eye worm)	carboxylesterase	0.0054	0.0307	0.0526
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0527	0.3566	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0131	0.0335
Loa Loa (eye worm)	DR-78	0.0013	0.002	0.0035
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0013	0.002	0.002
Brugia malayi	steroid hormone receptor	0.0027	0.0118	0.0202
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0027	0.0118	0.0118
Brugia malayi	hypothetical protein	0.0014	0.0031	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0021	0.0036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0027	0.0118	0.0118
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0013	0.002	0.002
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0483	0.3267	0.3267
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0013	0.0021	0.0021
Echinococcus granulosus	cpg binding protein	0.0037	0.0186	0.0186
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0483	0.3267	0.5602
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0014	0.0031	0.0031
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0518	0.8837
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0094	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0118	0.0202
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0027	0.0118	0.0202
Loa Loa (eye worm)	glutaminase 2	0.0269	0.1787	0.3064
Brugia malayi	ImpB/MucB/SamB family protein	0.0054	0.0306	0.0525
Loa Loa (eye worm)	glutaminase	0.0269	0.1787	0.3064
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0013	0.002	0.002
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0173	0.0296
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.019	0.0325
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0094	0.0407
Brugia malayi	nuclear hormone receptor	0.0013	0.002	0.0035
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0027	0.0118	0.0118
Brugia malayi	nuclear hormone receptor	0.0027	0.0118	0.0202
Brugia malayi	Nuclear hormone receptor E75	0.0013	0.002	0.0035
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0013	0.002	0.0035
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0174	0.1135	0.3139
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0027	0.0118	0.0118
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.3341	0.3341
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0006	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0118	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0855	0.5832	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0527	0.3566	1
Schistosoma mansoni	nuclear receptor	0.0013	0.002	0.002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Trypanosoma cruzi	hypothetical protein, conserved	0.0174	0.1135	0.3139
Schistosoma mansoni	zinc finger protein	0.0013	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0118	0.0202
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.0584	1
Brugia malayi	hypothetical protein	0.0029	0.0131	0.0224
Brugia malayi	orphan nuclear receptor NR2E1	0.0013	0.002	0.0035
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0.0022	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0027	0.0118	0.0202
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0174	0.1135	0.3139
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.0584	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0013	0.002	0.002
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0174	0.1135	0.3429
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0027	0.0118	0.0202
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0174	0.1135	0.3139
Onchocerca volvulus		0.0013	0.002	0.018
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0118	0.0202
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0094	0.0407
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Loa Loa (eye worm)	acetylcholinesterase 1	0.0054	0.0307	0.0526
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0013	0.002	0.0035
Onchocerca volvulus	Deterin homolog	0.0013	0.0021	0.0185
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0094	0.0094
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0118	0.0202
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0193	0.0193
Echinococcus granulosus	dna polymerase eta	0.0054	0.0306	0.0306
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0483	0.3267	0.9156
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0118	0.0202
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0014	0.0031	0.0031
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0094	0.0094
Treponema pallidum	NADH oxidase	0.0013	0.0022	0.5
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0174	0.1135	0.3139
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0013	0.0022	0.0022
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0054	0.0307	0.0307
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0013	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0031	0.0053
Loa Loa (eye worm)	choline O-acetyltransferase	0.0174	0.1135	0.1945
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0027	0.0118	0.0118
Echinococcus granulosus	FTZ F1 alpha	0.0027	0.0118	0.0118
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0387	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0131	0.0306
Brugia malayi	glutathione reductase	0.0037	0.019	0.0325
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0483	0.3267	0.3267
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0013	0.002	0.018
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0027	0.0118	0.0118
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.0584	1
Leishmania major	carnitine/choline acetyltransferase, putative	0.0174	0.1135	0.3139
Leishmania major	carnitine palmitoyltransferase-like protein	0.0483	0.3267	0.9156
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Echinococcus multilocularis	ecdysone induced protein 78C	0.0027	0.0118	0.0118
Trypanosoma brucei	trypanothione reductase	0.0037	0.019	0.0517
Onchocerca volvulus		0.0174	0.1135	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0013	0.002	0.002
Schistosoma mansoni	coup transcription factor	0.0027	0.0118	0.0118
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0131	0.0306
Schistosoma mansoni	cpg binding protein	0.0037	0.0186	0.0186
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0013	0.0022	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0118	0.0202
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0013	0.002	0.002
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0518	0.8837
Brugia malayi	nuclear receptor NHR-88	0.0013	0.002	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0306	0.0525
Onchocerca volvulus		0.0013	0.002	0.018
Brugia malayi	Carboxylesterase family protein	0.0054	0.0307	0.0526
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0094	0.0407
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.0118	0.0118
Schistosoma mansoni	choline o-acyltransferase	0.0174	0.1135	0.1135
Schistosoma mansoni	microtubule-associated protein tau	0.1459	1	1
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0527	0.3566	0.3566
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Leishmania major	DNA polymerase eta, putative	0.0038	0.0195	0.0489
Schistosoma mansoni	nuclear hormone receptor	0.0013	0.002	0.002
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0013	0.0022	0.5
Brugia malayi	ecdysteroid receptor	0.0027	0.0118	0.0202
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0118	0.0202
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0094	0.0203
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0483	0.3267	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0094	0.0407
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0193	0.0193
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0027	0.0118	0.0202
Schistosoma mansoni	cpg binding protein	0.0035	0.0173	0.0173
Trypanosoma cruzi	DNA polymerase eta, putative	0.0038	0.0195	0.0489
Onchocerca volvulus	Protein ultraspiracle homolog	0.0027	0.0118	0.1041
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0094	0.0203
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0441	0.0441
Echinococcus multilocularis	choline O acetyltransferase	0.0174	0.1135	0.1135
Schistosoma mansoni	hypothetical protein	0.0494	0.3341	0.3341
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0013	0.0021	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Trypanosoma brucei	hypothetical protein, conserved	0.0174	0.1135	0.3429
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0094	0.0094
Toxoplasma gondii	thioredoxin reductase	0.0037	0.019	0.46
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0518	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Plasmodium vivax	glutathione reductase, putative	0.0037	0.019	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0094	0.0203
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0094	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0038	0.0195	0.4754
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0013	0.002	0.002
Brugia malayi	nuclear hormone receptor family member odr-7	0.0013	0.002	0.0035
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0174	0.1135	0.3429
Echinococcus granulosus	thyroid hormone receptor alpha	0.0013	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0174	0.1135	0.1945
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0094	0.0094
Echinococcus granulosus	nuclear receptor nhr 48	0.0013	0.002	0.002
Onchocerca volvulus		0.0013	0.0021	0.0185
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0174	0.1135	0.3139
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0094	0.128
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0855	0.5832	1
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0013	0.0021	0.0021
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0013	0.0022	0.0022
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0518	0.8837
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0094	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0027	0.0118	0.0118
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0027	0.0118	0.0118
Schistosoma mansoni	nuclear hormone receptor	0.0013	0.002	0.002
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.019	0.0473
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0013	0.0021	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0031	0.0053
Schistosoma mansoni	retinoic acid receptor RXR	0.0027	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0.0022	0.5
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0013	0.0022	0.0022
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0527	0.3566	1
Onchocerca volvulus		0.0174	0.1135	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0094	0.0203
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0007	0.0007
Echinococcus multilocularis	acetylcholinesterase	0.0054	0.0307	0.0307
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0174	0.1135	0.1945
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0027	0.0118	0.0118
Schistosoma mansoni	inhibitor of apoptosis protein	0.0013	0.0021	0.0021
Brugia malayi	nuclear receptor RXR	0.0013	0.002	0.0035
Schistosoma mansoni	DNA polymerase eta	0.0054	0.0306	0.0306
Schistosoma mansoni	RAR-like nuclear receptor	0.0027	0.0118	0.0118
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0118	0.0202
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0131	0.6475
Schistosoma mansoni	thyroid hormone receptor	0.0027	0.0118	0.0118
Onchocerca volvulus		0.0174	0.1135	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0094	0.0094
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0027	0.0118	0.0118
Echinococcus multilocularis	microtubule associated protein 2	0.1459	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0094	0.0222
Onchocerca volvulus		0.0174	0.1135	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.019	0.2985
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0027	0.0118	0.0118
Mycobacterium ulcerans	glutaminase	0.0269	0.1787	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0013	0.002	0.002
Echinococcus granulosus	inhibitor of apoptosis protein	0.0013	0.0021	0.0021
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0173	0.0296
Brugia malayi	hypothetical protein	0.0014	0.0031	0.0053
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0094	0.0161
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0013	0.002	0.0035
Brugia malayi	nuclear receptor RXR	0.0014	0.0031	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0118	0.0202
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0027	0.0118	0.0118
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0013	0.0021	0.0021
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0094	0.0222
Plasmodium falciparum	glutathione reductase	0.0037	0.019	1
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0527	0.3566	0.3566
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0483	0.3267	0.5602
Echinococcus multilocularis	dna polymerase eta	0.0054	0.0306	0.0306
Trypanosoma brucei	unspecified product	0.0023	0.0094	0.0222
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.019	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0027	0.0118	0.0202
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0027	0.0118	0.0202
Echinococcus granulosus	carboxylesterase 5A	0.0054	0.0307	0.0307
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0094	0.0161
Schistosoma mansoni	hypothetical protein	0.0013	0.0022	0.0022
Trypanosoma cruzi	hypothetical protein, conserved	0.0174	0.1135	0.3139
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0044	0.0068
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0027	0.0118	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0013	0.002	0.0035
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0027	0.0118	0.0202
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0131	0.6475
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0027	0.0118	0.0202
Brugia malayi	Nuclear hormone receptor E75	0.0013	0.002	0.0035
Loa Loa (eye worm)	glutathione reductase	0.0037	0.019	0.0325
Schistosoma mansoni	glutaminase	0.0269	0.1787	0.1787
Trypanosoma cruzi	hypothetical protein, conserved	0.0174	0.1135	0.3139
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0027	0.0118	0.0118
Schistosoma mansoni	nuclear hormone receptor	0.0027	0.0118	0.0118
Echinococcus multilocularis	FTZ F1 alpha	0.0027	0.0118	0.0118
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0014	0.0031	0.0031
Trypanosoma brucei	unspecified product	0.0016	0.0044	0.0068
Onchocerca volvulus		0.0035	0.0173	0.152
Brugia malayi	nuclear receptor NHR-88	0.0027	0.0118	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0031	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0307	0.0526
Echinococcus granulosus	choline O acetyltransferase	0.0174	0.1135	0.1135
Echinococcus granulosus	acetylcholinesterase	0.0054	0.0307	0.0307
Onchocerca volvulus		0.0027	0.0118	0.1041
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0518	0.8837
Trichomonas vaginalis	glutaminase, putative	0.0269	0.1787	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0027	0.0118	0.0202
Brugia malayi	Nuclear hormone receptor-like 1	0.0014	0.0031	0.0053
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0027	0.0118	0.0118
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0094	0.0222
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0094	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0031	0.0053
Trypanosoma brucei	unspecified product	0.0016	0.0044	0.0068
Loa Loa (eye worm)	nuclear hormone receptor	0.0013	0.002	0.0035
Brugia malayi	Thioredoxin reductase	0.0037	0.019	0.0325
Brugia malayi	tailless protein	0.0013	0.002	0.0035
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0027	0.0118	0.0202

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.5481 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (binding)	= 56.2341 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
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	95.2834 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	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: CHEMBL1353819

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1209777