TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 498.957 | Formula: C24H20ClFN4O3S
H donors: 0 H acceptors: 4 LogP: 5.32 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)n1nc(c(c1S(=O)(=O)c1ccc(cc1)F)/C=N/OCc1ccc(nc1)Cl)C
InChi: 1S/C24H20ClFN4O3S/c1-16-3-8-20(9-4-16)30-24(34(31,32)21-10-6-19(26)7-11-21)22(17(2)29-30)14-28-33-15-18-5-12-23(25)27-13-18/h3-14H,15H2,1-2H3/b28-14+
InChiKey: LLNXWZHIROKANU-CCVNUDIWSA-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

No synonyms found for this compound

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
Schistosoma mansoni	zinc finger protein	0.0038	0.1541	0.1497
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0098	0.0115
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0033	0.1228	0.1172
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1983	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0042	0.1806	0.5
Brugia malayi	Bromodomain containing protein	0.0075	0.3867	0.4504
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.2236	0.2604
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.1983	1
Brugia malayi	hypothetical protein	0.0149	0.8586	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0116	0.6526	0.6669
Echinococcus multilocularis	zinc finger protein	0.0038	0.1541	0.1497
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.01	0.0002
Trypanosoma cruzi	Heat shock protein 83, putative	0.0045	0.1983	1
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1983	1
Brugia malayi	Hsp90 protein	0.003	0.1018	0.1186
Echinococcus granulosus	zinc finger protein	0.0038	0.1541	0.1497
Entamoeba histolytica	hypothetical protein	0.0035	0.1328	0.3209
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1978	0.195
Echinococcus granulosus	geminin	0.0167	0.9736	1
Schistosoma mansoni	hypothetical protein	0.004	0.1672	0.1633
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.01	0.0116
Toxoplasma gondii	heat shock protein 90, putative	0.0045	0.1983	0.1902
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Giardia lamblia	Grp94/Hsp90	0.0042	0.1806	0.5748
Toxoplasma gondii	Hsp90 domain-containing protein	0.0171	1	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0772	0.0699
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1328	0.1276
Loa Loa (eye worm)	hypothetical protein	0.0075	0.3876	0.4514
Brugia malayi	heat shock protein 90	0.0045	0.1983	0.2309
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1246	0.1452
Brugia malayi	intermediate filament protein	0.0026	0.0772	0.0899
Trypanosoma brucei	Heat shock protein 83, putative	0.0045	0.1983	1
Plasmodium vivax	heat shock protein 90, putative	0.003	0.1018	0.0928
Echinococcus granulosus	fetal alzheimer antigen falz	0.0044	0.191	0.188
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.01	0.0116
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Schistosoma mansoni	heat shock protein	0.0045	0.1983	0.1955
Plasmodium vivax	heat shock protein, putative	0.0171	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0045	0.1983	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.1228	0.1172
Echinococcus granulosus	intermediate filament protein	0.0026	0.0772	0.0699
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.007	0.3573	0.3605
Schistosoma mansoni	lamin	0.0026	0.0772	0.0699
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1983	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1228	0.143
Schistosoma mansoni	bromodomain containing protein	0.0123	0.6971	0.7131
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0044	0.191	0.188
Brugia malayi	isocitrate dehydrogenase	0.0016	0.01	0.0116
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0098	0.0115
Brugia malayi	RNA binding protein	0.0062	0.3082	0.3589
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.3082	0.3589
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.1228	0.1172
Echinococcus granulosus	heat shock protein	0.0045	0.1983	0.1955
Trypanosoma brucei	ISWI complex protein	0.003	0.101	0.4832
Brugia malayi	Bromodomain containing protein	0.0146	0.8427	0.9815
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0116	0.6526	0.6669
Plasmodium falciparum	heat shock protein 90, putative	0.0026	0.078	0.0686
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0042	0.1806	1
Plasmodium vivax	heat shock protein 86, putative	0.0045	0.1983	0.1902
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1978	0.2304
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3082	0.3096
Schistosoma mansoni	hypothetical protein	0.003	0.101	0.0946
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0039	0.1568	0.1524
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.01	0.0002
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1983	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1978	0.195
Trichomonas vaginalis	heat shock protein, putative	0.0042	0.1806	0.8533
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0042	0.1806	0.9062
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.1983	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1328	0.1276
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.1195	0.345
Echinococcus granulosus	lamin dm0	0.0026	0.0772	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0083	0.4407	0.5133
Trypanosoma brucei	heat shock protein 84, putative	0.003	0.1018	0.4877
Brugia malayi	Endoplasmin precursor	0.0045	0.1983	0.2309
Schistosoma mansoni	endoplasmin	0.0045	0.1983	0.1955
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.01	0.0002
Echinococcus multilocularis	musashi	0.0026	0.0772	0.0699
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1978	0.195
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.3082	0.3096
Loa Loa (eye worm)	heat shock protein 75	0.003	0.1018	0.1186
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0098	0.0115
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0772	0.0899
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.1228	0.1172
Trypanosoma cruzi	ISWI complex protein	0.003	0.101	0.4832
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Schistosoma mansoni	hypothetical protein	0.0035	0.1328	0.1276
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1983	1
Brugia malayi	TAR-binding protein	0.0062	0.3082	0.3589
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Loa Loa (eye worm)	heat shock protein 90	0.0045	0.1983	0.2309
Brugia malayi	MH2 domain containing protein	0.0116	0.6471	0.7537
Echinococcus multilocularis	endoplasmin	0.0042	0.1806	0.1772
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1978	0.195
Loa Loa (eye worm)	PHD-finger family protein	0.004	0.1672	0.1948
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0742	0.0864
Schistosoma mansoni	hypothetical protein	0.0167	0.9736	1
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.003	0.1018	0.0954
Treponema pallidum	heat shock protein 90	0.0042	0.1806	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1978	0.195
Trypanosoma cruzi	ISWI complex protein	0.003	0.101	0.4832
Brugia malayi	PHD-finger family protein	0.0049	0.2204	0.2567
Echinococcus granulosus	heat shock protein 90	0.0039	0.1568	0.1524
Echinococcus granulosus	lamin	0.0026	0.0772	0.0699
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Entamoeba histolytica	heat shock protein 90, putative	0.0045	0.1983	1
Trichomonas vaginalis	heat shock protein, putative	0.0042	0.1806	0.8533
Schistosoma mansoni	hypothetical protein	0.0034	0.1246	0.1191
Echinococcus multilocularis	heat shock protein 90	0.0045	0.1983	0.1955
Echinococcus granulosus	endoplasmin	0.0042	0.1806	0.1772
Entamoeba histolytica	hypothetical protein	0.0035	0.1328	0.3209
Trypanosoma cruzi	heat shock protein 85, putative	0.0045	0.1983	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.003	0.1018	0.0315
Echinococcus multilocularis	geminin	0.0167	0.9736	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1246	0.1452
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3082	0.3096
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0044	0.191	0.188
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1983	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.3082	0.3589
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.1568	0.7795
Schistosoma mansoni	zinc finger protein	0.003	0.101	0.0946
Echinococcus multilocularis	heat shock protein	0.0045	0.1983	0.1955
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3082	0.3096
Entamoeba histolytica	hypothetical protein	0.0035	0.1328	0.3209
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.2236	0.2604
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.8586	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1978	0.195
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.01	0.0002
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0033	0.1228	0.1172
Echinococcus granulosus	tar DNA binding protein	0.0062	0.3082	0.3096
Leishmania major	hypothetical protein, conserved	0.003	0.101	0.4832
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0042	0.1806	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.6471	0.7537
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.417	0.4857
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0772	0.0899
Entamoeba histolytica	heat shock protein 90, putative	0.0045	0.1983	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1328	0.1276
Schistosoma mansoni	heat shock protein	0.003	0.1018	0.0954
Plasmodium falciparum	heat shock protein 90	0.0045	0.1983	0.1902
Schistosoma mansoni	endoplasmin	0.0045	0.1983	0.1955
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0045	0.1983	1
Echinococcus granulosus	heat shock protein 90	0.0045	0.1983	0.1955
Toxoplasma gondii	heat shock protein 75, putative	0.003	0.1018	0.0928
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.01	0.0002
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0098	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0138	0.7895	0.9196
Trichomonas vaginalis	endoplasmin, putative	0.0033	0.1195	0.345
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3082	0.3096
Trypanosoma cruzi	heat shock protein, putative	0.003	0.1018	0.4877
Plasmodium vivax	endoplasmin, putative	0.0045	0.1983	0.1902
Entamoeba histolytica	hypothetical protein	0.0035	0.1328	0.3209
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1983	1
Trypanosoma brucei	heat shock protein 90, putative	0.0045	0.1983	1
Plasmodium falciparum	endoplasmin, putative	0.0033	0.1195	0.1106
Schistosoma mansoni	lamin	0.0026	0.0772	0.0699
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.2236	0.2604
Echinococcus multilocularis	heat shock protein 90	0.0039	0.1568	0.1524
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.007	0.3573	0.3605
Loa Loa (eye worm)	RNA binding protein	0.0062	0.3082	0.3589
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0772	0.0899
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Leishmania major	heat shock protein, putative	0.003	0.1018	0.4877
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Schistosoma mansoni	hypothetical protein	0.0167	0.9736	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.01	0.0002
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.003	0.1018	0.0954
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0033	0.1228	0.1172
Onchocerca volvulus		0.0149	0.8586	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0772	0.0899
Trypanosoma cruzi	heat shock protein 90, putative	0.0019	0.0312	0.1128
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.6471	0.7537
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0033	0.1228	0.1172
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1978	0.2304
Mycobacterium ulcerans	heat shock protein 90	0.0042	0.1806	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.01	0.0002
Loa Loa (eye worm)	bromodomain containing protein	0.0034	0.1304	0.1519
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.3082	0.3589
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0772	0.0699
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Trypanosoma brucei	heat shock protein, putative	0.0045	0.1983	1
Trypanosoma brucei	heat shock protein 90, putative	0.0045	0.1983	1
Loa Loa (eye worm)	endoplasmin	0.0045	0.1983	0.2309
Echinococcus multilocularis	lamin	0.0026	0.0772	0.0699
Brugia malayi	hypothetical protein	0.0035	0.1328	0.1546
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.1568	0.7795
Trichomonas vaginalis	heat shock protein, putative	0.0045	0.1983	1
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.2236	0.2604
Schistosoma mansoni	heat shock protein	0.0045	0.1983	0.1955
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.1228	0.1172
Leishmania major	heat shock protein 83-1	0.0045	0.1983	1
Toxoplasma gondii	heat shock protein HSP90	0.0045	0.1983	0.1902
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.1568	0.655
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.3082	0.3096
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1978	0.195

Activities

No activities found for this compound.

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: CHEMBL2228685

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 1814904