TDR Targets

Basic information

Technical information

TDR Targets ID: 1540094
Name: [2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxoe thyl] 5-bromopyridine-3-carboxylate
MW: 470.338 | Formula: C18H20BrN3O5S
H donors: 1 H acceptors: 5 LogP: 2.18 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCN(S(=O)(=O)c1cccc(c1)NC(=O)COC(=O)c1cncc(c1)Br)CC
InChi: 1S/C18H20BrN3O5S/c1-3-22(4-2)28(25,26)16-7-5-6-15(9-16)21-17(23)12-27-18(24)13-8-14(19)11-20-10-13/h5-11H,3-4,12H2,1-2H3,(H,21,23)
InChiKey: GILXHXHGJMJAPP-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-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate
5-bromo-3-pyridinecarboxylic acid [2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxoethyl] ester
5-bromonicotinic acid [2-[[3-(diethylsulfamoyl)phenyl]amino]-2-keto-ethyl] ester
T0516-6784

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	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
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	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
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	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
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, 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
Plasmodium yoelii	putative AP endonuclease-related	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
Treponema pallidum	exodeoxyribonuclease (exoA)	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
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	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
Theileria parva	hypothetical 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	DNA-(apurinic or apyrimidinic site) lyase 2, putative	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
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	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
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox 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
Toxoplasma gondii	exonuclease III APE	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
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	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
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	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
Trypanosoma cruzi	apurinic/apyrimidinic 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
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	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
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	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 vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768

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
Mycobacterium ulcerans	polyketide synthase Pks9	0.0081	0.2956	0.3637
Toxoplasma gondii	type I fatty acid synthase, putative	0.0087	0.3245	0.6178
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0031	0.0615	0.0602
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0184	0.7712	1
Mycobacterium tuberculosis	Hypothetical protein	0.0037	0.0901	0.1102
Echinococcus multilocularis	geminin	0.0166	0.6891	1
Schistosoma mansoni	hypothetical protein	0.0166	0.6891	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0123	0.4889	0.6224
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0031	0.0615	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0025	0.0324	0.0311
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0123	0.4889	0.6312
Mycobacterium leprae	Probable polyketide synthase Pks1	0.013	0.5244	0.6776
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0123	0.4889	0.6312
Mycobacterium tuberculosis	Probable polyketide synthase Pks17	0.003	0.0576	0.0678
Entamoeba histolytica	hypothetical protein	0.0025	0.0324	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0596	0.9707
Schistosoma mansoni	ap endonuclease	0.0023	0.0237	0.0326
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0237	0.3863
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0237	0.5
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0123	0.4889	0.6312
Plasmodium falciparum	3-oxoacyl-acyl-carrier protein synthase I/II	0.0031	0.0615	1
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative	0.0031	0.0615	1
Mycobacterium leprae	PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE)	0.0039	0.0975	0.1198
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0237	0.7209
Loa Loa (eye worm)	acyl carrier protein	0.0056	0.1806	0.2048
Mycobacterium ulcerans	3-oxoacyl-(acyl carrier protein) synthase II	0.0031	0.0615	0.0505
Toxoplasma gondii	FATC domain-containing protein	0.0025	0.0324	0.0594
Mycobacterium ulcerans	thioesterase	0.0102	0.3938	0.4951
Schistosoma mansoni	hypothetical protein	0.0166	0.6891	1
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0237	0.2522
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0123	0.4889	0.6312
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.013	0.5244	0.6776
Mycobacterium ulcerans	polyketide synthase Pks13	0.0184	0.7712	1
Loa Loa (eye worm)	fatty acid synthase	0.0121	0.4813	0.5482
Loa Loa (eye worm)	hypothetical protein	0.0206	0.877	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0237	0.0326
Giardia lamblia	Methyltransferase like 2	0.0037	0.0901	1
Schistosoma mansoni	methyltransferase-related	0.0037	0.0901	0.1291
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.007	0.2427	0.3095
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0596	0.97
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0025	0.0324	0.5167
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.013	0.5244	0.6698
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0115	0.4514	0.5823
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0123	0.4889	0.6224
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0237	0.0326
Mycobacterium ulcerans	polyketide synthase	0.0123	0.4889	0.6224
Brugia malayi	hypothetical protein	0.003	0.0596	0.0584
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0031	0.0615	1
Brugia malayi	Methyltransferase-like protein 4	0.0037	0.0901	0.0889
Leishmania major	hypothetical protein, conserved	0.0037	0.0901	1
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0042	0.1144	0.1419
Mycobacterium ulcerans	fatty acid synthase Fas	0.0039	0.0975	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0057	0.005
Brugia malayi	hypothetical protein	0.002	0.0095	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0057	0.005
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0023	0.0237	0.3863
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0025	0.0324	0.0452
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.013	0.5244	0.6698
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0115	0.4514	0.514
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0164	0.0172
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0123	0.4889	0.6312
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0025	0.0324	0.5167
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0237	0.2522
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0119	0.4714	0.6084
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.013	0.5244	0.6776
Onchocerca volvulus	Fatty acid synthase homolog	0.0221	0.9471	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0237	0.0256
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0237	0.0235
Toxoplasma gondii	exonuclease III APE	0.0023	0.0237	0.0428
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0237	0.3725
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0021	0.0164	0.2506
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0099	0.3774	0.4732
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0324	0.3498
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0099	0.3774	0.4856
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0031	0.0615	1
Onchocerca volvulus		0.0214	0.9116	0.9285
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0062	0.2066	0.3925
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0184	0.7712	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.013	0.5244	0.6776
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.008	0.2884	0.5489
Mycobacterium ulcerans	polyketide synthase MbtC	0.0031	0.0615	0.0505
Schistosoma mansoni	3-oxoacyl-[ACP] synthase	0.0031	0.0615	0.0874
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.013	0.5244	0.6776
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.0015	0.0027
Mycobacterium ulcerans	polyketide synthase	0.013	0.5244	0.6698
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0596	0.9707
Brugia malayi	AMP-binding enzyme family protein	0.0038	0.0937	0.0925
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0099	0.3774	0.4732
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.01	0.3849	0.4954
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0237	0.3725
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0081	0.2956	0.3787
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.013	0.5244	0.6776
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0123	0.4889	0.4883
Loa Loa (eye worm)	hypothetical protein	0.0177	0.7395	0.8429
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0901	0.1102
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0901	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.005	0.149	0.1871
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0119	0.4714	0.6084
Toxoplasma gondii	type I fatty acid synthase	0.0019	0.0057	0.0084
Echinococcus granulosus	geminin	0.0166	0.6891	1
Echinococcus granulosus	serine protein kinase ATM	0.0025	0.0324	0.0452
Leishmania major	beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative	0.0031	0.0615	0.677
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0237	0.3725
Toxoplasma gondii	type I fatty acid synthase, putative	0.013	0.5244	1
Trypanosoma brucei	beta-ketoacyl-ACP synthase	0.0031	0.0615	1
Mycobacterium leprae	Polyketide synthase Pks13	0.0184	0.7712	1
Mycobacterium ulcerans	thioesterase TesA	0.0102	0.3938	0.4951
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0177	0.7395	0.5811
Mycobacterium ulcerans	polyketide synthase MbtD	0.0038	0.0937	0.0936
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0102	0.3938	0.5069
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0596	0.1115
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0102	0.3938	0.5069
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0038	0.0937	0.1149
Loa Loa (eye worm)	beta-ketoacyl synthase domain-containing protein	0.0031	0.0615	0.0686
Toxoplasma gondii	3-oxoacyl-acyl-carrier protein synthase I/II, putative	0.0031	0.0615	0.1149
Leishmania major	hypothetical protein, conserved	0.003	0.0596	0.6567
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0088	0.3282	0.4212
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0123	0.4889	0.6224
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0237	0.2522
Brugia malayi	N-terminal motif family protein	0.0177	0.7395	0.7391
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0596	0.9707
Echinococcus granulosus	3 oxoacyl acyl carrier protein synthase	0.0031	0.0615	0.0874
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0039	0.0975	0.1198
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0237	0.0224
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0596	0.97
Chlamydia trachomatis	3-oxoacyl-ACP synthase	0.0031	0.0615	0.5
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.0015	0.0018
Echinococcus multilocularis	serine protein kinase ATM	0.0025	0.0324	0.0452
Schistosoma mansoni	ap endonuclease	0.0023	0.0237	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0069	0.238	0.2702
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0081	0.2956	0.3637
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0596	0.97
Echinococcus multilocularis	3 oxoacyl (acyl carrier protein) synthase	0.0031	0.0615	0.0874
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0123	0.4889	0.6224
Loa Loa (eye worm)	hypothetical protein	0.003	0.0596	0.0666
Mycobacterium ulcerans	3-oxoacyl-(acyl carrier protein) synthase II	0.0031	0.0615	0.0505
Brugia malayi	AMP-binding enzyme family protein	0.0115	0.4514	0.4507
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0237	0.2522

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.4662 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	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

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: CHEMBL1892106

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1540094