TDR Targets

Basic information

Technical information

TDR Targets ID: 1651630
Name: N-[4-(4-chlorophenyl)-3,5-dicyano-2-hydroxy-6 -oxopyridin-1-yl]-4-methylbenzenesulfonamide
MW: 440.86 | Formula: C20H13ClN4O4S
H donors: 2 H acceptors: 6 LogP: 3.19 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(O)n(NS(=O)(=O)c2ccc(cc2)C)c(=O)c(c1c1ccc(cc1)Cl)C#N
InChi: 1S/C20H13ClN4O4S/c1-12-2-8-15(9-3-12)30(28,29)24-25-19(26)16(10-22)18(17(11-23)20(25)27)13-4-6-14(21)7-5-13/h2-9,24,26H,1H3
InChiKey: FNXXYNFLDWNTAV-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-[4-(4-chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxo-1-pyridyl]-4-methyl-benzenesulfonamide
N-[4-(4-chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxo-1-pyridyl]-4-methylbenzenesulfonamide
N-[4-(4-chlorophenyl)-3,5-dicyano-2-hydroxy-6-keto-1-pyridyl]-4-methyl-benzenesulfonamide
N-[4-(4-chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxo-pyridin-1-yl]-4-methyl-benzenesulfonamide
NCI60_031549
AIDS-150448
AIDS150448
N-(4-(4-Chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide
NSC687582

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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 tuberculosis	Probable conserved lipoprotein	0.0108	0.0269	0.1356
Echinococcus multilocularis	tumor protein p63	0.0336	0.0936	0.0936
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0136	0.0428
Leishmania major	cathepsin L-like protease	0.0063	0.0136	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0269	0.0848
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0108	0.0269	0.1356
Schistosoma mansoni	peptidase Clp (S14 family)	0.0159	0.0417	0.0417
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0096	0.0304
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.012	0.0378
Mycobacterium tuberculosis	Probable hydrolase	0.0108	0.0269	0.1356
Loa Loa (eye worm)	beta-lactamase	0.0108	0.0269	0.0848
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0159	0.0417	0.1314
Leishmania major	cathepsin L-like protease	0.0063	0.0136	0.0428
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0104	0.0257	0.1293
Trichomonas vaginalis	ferritin, putative	0.0017	0.0001	0.0002
Echinococcus granulosus	pantothenate kinase 4	0.1099	0.3174	0.3174
Echinococcus granulosus	ferritin	0.0017	0.0001	0.0001
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0055	0.0112	0.2673
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0269	0.0848
Onchocerca volvulus		0.0108	0.0269	0.0848
Trichomonas vaginalis	esterase, putative	0.0108	0.0269	0.0848
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0108	0.0269	0.6452
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0055	0.0112	0.0353
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0159	0.0417	1
Schistosoma mansoni	pantothenate kinase	0.1099	0.3174	0.3174
Mycobacterium ulcerans	hypothetical protein	0.0108	0.0269	0.6452
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0398	0.1254
Onchocerca volvulus	Fumble homolog	0.1099	0.3174	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0108	0.0269	0.0848
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0159	0.0417	1
Schistosoma mansoni	ferritin light chain	0.0017	0.0001	0.0001
Plasmodium falciparum	pantothenate kinase 1, putative	0.1099	0.3174	1
Trypanosoma brucei	pantothenate kinase subunit, putative	0.1099	0.3174	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0159	0.0417	0.1314
Mycobacterium ulcerans	beta-lactamase	0.0108	0.0269	0.6452
Echinococcus multilocularis	microtubule associated protein 2	0.3428	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0269	0.0848
Brugia malayi	hypothetical protein	0.0152	0.0398	0.1254
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0269	0.0848
Echinococcus multilocularis	ferritin	0.0017	0.0001	0.0001
Echinococcus granulosus	beta LACTamase domain containing family member	0.0108	0.0269	0.0269
Trichomonas vaginalis	pantothenate kinase, putative	0.1099	0.3174	1
Trichomonas vaginalis	pantothenate kinase, putative	0.1099	0.3174	1
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.1099	0.3174	1
Plasmodium vivax	hypothetical protein, conserved	0.0464	0.1313	0.4136
Schistosoma mansoni	ferritin light chain	0.0017	0.0001	0.0001
Mycobacterium tuberculosis	Probable lipase LipE	0.0108	0.0269	0.1356
Trichomonas vaginalis	conserved hypothetical protein	0.0635	0.1813	0.5712
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0295	0.093
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0136	0.0428
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0055	0.0112	0.2673
Leishmania major	cathepsin L-like protease	0.0063	0.0136	0.0428
Trichomonas vaginalis	pantothenate kinase, putative	0.1099	0.3174	1
Onchocerca volvulus		0.0108	0.0269	0.0848
Plasmodium vivax	pantothenate kinase, putative	0.1099	0.3174	1
Schistosoma mansoni	microtubule-associated protein tau	0.3428	1	1
Trichomonas vaginalis	pantothenate kinase, putative	0.1099	0.3174	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0104	0.0257	0.6149
Toxoplasma gondii	fumble protein	0.1099	0.3174	1
Echinococcus multilocularis	expressed protein	0.0017	0.0001	0.0001
Trypanosoma cruzi	cruzipain precursor, putative	0.0063	0.0136	0.0428
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0104	0.0257	0.0257
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0269	0.1356
Leishmania major	hypothetical protein, conserved	0.0108	0.0269	0.0848
Leishmania major	pantothenate kinase subunit, putative	0.1099	0.3174	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0159	0.0417	0.5
Brugia malayi	Probable ClpP-like protease	0.0159	0.0417	0.1314
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0159	0.0417	1
Schistosoma mansoni	pantothenate kinase	0.1099	0.3174	0.3174
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0692	0.1981	1
Trypanosoma brucei	hypothetical protein, conserved	0.0108	0.0269	0.0439
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0159	0.0417	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0159	0.0417	1
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.0269	0.0848
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0269	0.0848
Brugia malayi	hypothetical protein	0.0071	0.0161	0.0507
Schistosoma mansoni	ferritin	0.0017	0.0001	0.0001
Mycobacterium tuberculosis	Probable esterase LipL	0.0108	0.0269	0.1356
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0108	0.0269	0.0269
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.0269	0.0848
Toxoplasma gondii	hypothetical protein	0.0055	0.0112	0.0353
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0108	0.0269	0.1356
Brugia malayi	pantothenate kinase family protein	0.1099	0.3174	1
Toxoplasma gondii	pantothenate kinase	0.0464	0.1313	0.4136
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0161	0.0161
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0159	0.0417	0.1314
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0269	0.0848
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0108	0.0269	0.0848
Brugia malayi	beta-lactamase family protein	0.0108	0.0269	0.0848
Loa Loa (eye worm)	pantothenate kinase	0.1099	0.3174	1
Brugia malayi	beta-lactamase family protein	0.0108	0.0269	0.0848
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0269	0.1356
Schistosoma mansoni	hypothetical protein	0.0071	0.0161	0.0161
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.0269	0.0848
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0159	0.0417	0.1314
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0096	0.0096
Entamoeba histolytica	pantothenate kinase 1, putative	0.1099	0.3174	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0063	0.0136	0.0428
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.1099	0.3174	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0096	0.0302
Echinococcus granulosus	peptidase Clp S14 family	0.0104	0.0257	0.0257
Entamoeba histolytica	hypothetical protein	0.0071	0.0161	0.0507
Mycobacterium tuberculosis	Probable lipase LipD	0.0108	0.0269	0.1356
Plasmodium falciparum	pantothenate kinase 2, putative	0.0464	0.1313	0.4136
Toxoplasma gondii	ABC1 family protein	0.0108	0.0269	0.0848
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0269	0.0848
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0055	0.0112	0.0353
Schistosoma mansoni	apoferritin-2	0.0017	0.0001	0.0001
Entamoeba histolytica	hypothetical protein	0.0071	0.0161	0.0507
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0159	0.0417	0.0417
Schistosoma mansoni	ferritin	0.0017	0.0001	0.0001
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0159	0.0417	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0269	0.0848
Brugia malayi	beta-lactamase	0.0108	0.0269	0.0848
Mycobacterium ulcerans	lipase LipD	0.0108	0.0269	0.6452
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0104	0.0257	0.1293
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0295	0.093
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0269	0.0269
Echinococcus multilocularis	pantothenate kinase 4	0.1099	0.3174	0.3174
Trichomonas vaginalis	pantothenate kinase, putative	0.1099	0.3174	1
Mycobacterium leprae	conserved hypothetical protein	0.0108	0.0269	0.6452
Onchocerca volvulus		0.0108	0.0269	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0269	0.0848
Onchocerca volvulus		0.0152	0.0398	0.1254
Schistosoma mansoni	apoferritin-2	0.0017	0.0001	0.0001
Entamoeba histolytica	hypothetical protein	0.0071	0.0161	0.0507
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0159	0.0417	0.0417
Mycobacterium leprae	Probable lipase LipE	0.0108	0.0269	0.6452
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0269	0.0848
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0269	0.0269
Echinococcus granulosus	tumor protein p63	0.0336	0.0936	0.0936
Entamoeba histolytica	hypothetical protein	0.0071	0.0161	0.0507
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0161	0.0161
Brugia malayi	MH2 domain containing protein	0.0117	0.0295	0.093
Giardia lamblia	Pantothenate kinase 4	0.1099	0.3174	0.5
Echinococcus granulosus	expressed protein	0.0017	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0417	0.1314
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0269	0.1356
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0269	0.0848
Schistosoma mansoni	ferritin	0.0017	0.0001	0.0001
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0161	0.0161
Schistosoma mansoni	ferritin	0.0017	0.0001	0.0001
Onchocerca volvulus		0.0049	0.0096	0.0302
Mycobacterium ulcerans	esterase/lipase LipP	0.0108	0.0269	0.6452

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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: CHEMBL2004797

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1651630