TDR Targets

Basic information

Technical information

TDR Targets ID: 1398402
Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2- oxoethyl] 3-(methylsulfamoyl)benzoate
MW: 431.462 | Formula: C20H21N3O6S
H donors: 2 H acceptors: 5 LogP: 1.4 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C
InChi: 1S/C20H21N3O6S/c1-20(2)19(26)22-15-9-4-5-10-16(15)23(20)17(24)12-29-18(25)13-7-6-8-14(11-13)30(27,28)21-3/h4-11,21H,12H2,1-3H3,(H,22,26)
InChiKey: VBMMZTBCCVKQRE-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-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 3-(methylsulfamoyl)benzoate
3-(methylsulfamoyl)benzoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester
3-(methylsulfamoyl)benzoic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester
T5373515

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	caspase 6, apoptosis-related cysteine peptidase	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Cell death protein 3 precursor	caspase 6, apoptosis-related cysteine peptidase	293 aa	270 aa	34.4 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0687	0.5
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0084	0.0101
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.111	0.111
Trypanosoma cruzi	metacaspase, putative	0.0032	0.0346	0.5027
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0084	0.122
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0084	0.0101
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.37	0.4466
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0346	0.5027
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0084	1
Plasmodium vivax	importin-beta 2, putative	0.0028	0.022	0.3201
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0687	1
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0687	0.083
Plasmodium falciparum	metacaspase-like protein	0.0032	0.0346	1
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0687	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0687	0.1858
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0687	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0687	0.0814
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0687	0.083
Echinococcus granulosus	snurportin 1	0.0297	0.8284	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0687	1
Brugia malayi	MH2 domain containing protein	0.0144	0.37	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0066	0.008
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1039	0.1255
Echinococcus granulosus	caspase 8	0.0032	0.0346	0.0417
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0687	0.0814
Schistosoma mansoni	caspase-7 (C14 family)	0.0032	0.0346	0.0346
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.022	0.3201
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1039	0.1255
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0084	0.122
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0687	0.083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0687	0.083
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0062	0.0908
Brugia malayi	beta-lactamase	0.0043	0.0687	0.1858
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0066	0.0961
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0346	0.5027
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0687	0.0814
Brugia malayi	Importin beta-1 subunit	0.0028	0.022	0.0595
Echinococcus multilocularis	caspase 8	0.0032	0.0346	0.0417
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0346	0.5027
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0084	0.0084
Brugia malayi	Cell death protein 3 precursor	0.0032	0.0346	0.0934
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0084	0.0023
Brugia malayi	beta-lactamase family protein	0.0043	0.0687	0.1858
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0687	0.5
Schistosoma mansoni	caspase-7 (C14 family)	0.0032	0.0346	0.0346
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0066	0.0961
Echinococcus multilocularis	caspase	0.0032	0.0346	0.0417
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.1348	0.1628
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.022	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0084	0.0101
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.022	0.3201
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0687	1
Trichomonas vaginalis	esterase, putative	0.0043	0.0687	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0687	0.0814
Plasmodium falciparum	metacaspase 1	0.0032	0.0346	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.1348	0.3645
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0084	0.122
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0066	0.0179
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0232	0.6315	0.7623
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.111	0.134
Onchocerca volvulus		0.0043	0.0687	0.4472
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0084	0.0101
Schistosoma mansoni	importin beta-1	0.0028	0.022	0.022
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0066	0.0961
Echinococcus granulosus	caspase 2	0.0032	0.0346	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0687	0.083
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0066	0.5
Echinococcus multilocularis	snurportin 1	0.0297	0.8284	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0687	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0066	0.0961
Schistosoma mansoni	caspase-3 (C14 family)	0.0032	0.0346	0.0346
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.1348	0.1628
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0084	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0346	0.5027
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0032	0.0346	0.5027
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0687	1
Brugia malayi	mbt repeat family protein	0.0058	0.111	0.3
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.37	0.4466
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0687	0.0814
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0084	0.0101
Toxoplasma gondii	exonuclease III APE	0.0023	0.0066	0.0961
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0687	0.0814
Toxoplasma gondii	ABC1 family protein	0.0043	0.0687	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1039	0.1039
Loa Loa (eye worm)	mbt repeat family protein	0.0058	0.111	0.134
Brugia malayi	mbt repeat family protein	0.0058	0.111	0.3
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0062	0.0908
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0084	0.0227
Plasmodium vivax	metacaspase 1, putative	0.0032	0.0346	0.5027
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0687	1
Schistosoma mansoni	ap endonuclease	0.0023	0.0066	0.0066
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0066	0.008
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0687	0.0687
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0066	0.0961
Echinococcus granulosus	importin subunit beta 1	0.0028	0.022	0.0266
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0066	0.0961
Trypanosoma cruzi	metacaspase, putative	0.0032	0.0346	0.5027
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0062	0.0908
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0687	0.0814
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0687	1
Onchocerca volvulus		0.0043	0.0687	0.4472
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0084	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0346	0.0417
Echinococcus multilocularis	caspase 2	0.0032	0.0346	0.0417
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0032	0.0346	0.0417
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.111	0.111
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0346	0.5027
Mycobacterium ulcerans	lipase LipD	0.0043	0.0687	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0687	0.0814
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1039	0.2809
Trypanosoma cruzi	metacaspase, putative	0.0032	0.0346	0.5027
Trypanosoma brucei	metacaspase 5, putative	0.0032	0.0346	0.5027
Leishmania major	metacaspase, putative	0.0032	0.0346	0.5027
Trypanosoma brucei	metacaspase MCA2	0.0032	0.0346	0.5027
Trypanosoma cruzi	metacaspase, putative	0.0032	0.0346	0.5027
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0084	0.122
Brugia malayi	beta-lactamase family protein	0.0043	0.0687	0.1858
Trypanosoma brucei	metacaspase MCA3	0.0032	0.0346	0.5027
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1039	0.1255
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.1348	0.1348
Schistosoma mansoni	hypothetical protein	0.0297	0.8284	0.8284
Echinococcus granulosus	dna polymerase eta	0.0023	0.0084	0.0101
Trypanosoma cruzi	metacaspase 5, putative	0.0032	0.0346	0.5027
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0346	0.5027
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0066	0.0961
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.111	0.134
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1039	0.1039
Trypanosoma brucei	metacaspase	0.0032	0.0346	0.5027
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.111	0.134
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0032	0.0346	0.5027
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0084	0.0084
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0066	0.1913
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0032	0.0346	0.0346
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0346	0.5027
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.111	0.134
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0084	0.122
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0062	0.0908
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Plasmodium falciparum	importin beta, putative	0.0028	0.022	0.6368
Brugia malayi	RNA, U transporter 1	0.0079	0.1757	0.4748
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0058	0.111	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0066	0.7881
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0687	0.0814
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0084	0.0101
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0066	0.7881
Loa Loa (eye worm)	hypothetical protein	0.0058	0.111	0.134
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0084	0.0286
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.111	0.111
Trypanosoma brucei	unspecified product	0.0023	0.0084	0.122
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0687	0.083
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0687	0.0687
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0028	0.022	0.0266
Entamoeba histolytica	hypothetical protein	0.0023	0.0062	0.7442
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0687	0.083
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0232	0.6315	0.7623
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0687	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0066	0.5
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0084	0.122
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1348	0.1628
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0084	0.0023
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Loa Loa (eye worm)	MBCTL1	0.0066	0.1348	0.1628
Leishmania major	DNA polymerase eta, putative	0.0023	0.0084	0.122
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0066	0.008
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1039	0.1039
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0084	0.0101
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0297	0.8284	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0084	0.122
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0032	0.0346	0.0417
Leishmania major	hypothetical protein, conserved	0.0043	0.0687	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Onchocerca volvulus		0.0043	0.0687	0.4472
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0084	0.122
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0687	0.083
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Echinococcus granulosus	caspase	0.0032	0.0346	0.0417
Schistosoma mansoni	ap endonuclease	0.0023	0.0066	0.0066
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0687	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0062	0.0908
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0032	0.0346	0.5027
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1039	0.1255
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0084	0.0286
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.1348	0.1628
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0687	1
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0084	1
Trypanosoma cruzi	metacaspase 5, putative	0.0032	0.0346	0.5027
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.7697	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.1348	0.1628
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1039	0.1255
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0032	0.0346	0.5027
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.022	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0346	0.0417
Trypanosoma brucei	Metacaspase-4	0.0032	0.0346	0.5027
Onchocerca volvulus		0.0058	0.111	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0687	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0687	0.083
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0687	1
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0032	0.0346	0.0934
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0687	0.083

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	3 uM	PubChem BioAssay. VEID(2) R110 Enzymatic Primary HTS to identify Inhibitors of Caspase 6 Measured in Biochemical System Using Plate Reader - 7052-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 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)	15.003 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1516461

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1398402