TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.853 | Formula: C19H15ClN2O2S
H donors: 1 H acceptors: 2 LogP: 5.13 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C=CCN1C(=Nc2ccc(cc2)O)SC(=Cc2ccc(cc2)Cl)C1=O
InChi: 1S/C19H15ClN2O2S/c1-2-11-22-18(24)17(12-13-3-5-14(20)6-4-13)25-19(22)21-15-7-9-16(23)10-8-15/h2-10,12,23H,1,11H2/b17-12-,21-19+
InChiKey: ZCRXPCDJIRXBKM-HATACVMWSA-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

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
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0086	0.2241	0.2241
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0086	0.2241	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.25	0.25
Brugia malayi	RNA, U transporter 1	0.0082	0.2121	0.3981
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0056	0.1214	0.1214
Schistosoma mansoni	hypothetical protein	0.0308	1	1
Echinococcus multilocularis	dUTP pyrophosphatase	0.0174	0.5326	0.5326
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0086	0.2241	1
Plasmodium falciparum	importin beta, putative	0.0029	0.0266	0.0499
Loa Loa (eye worm)	glycosyl transferase family 8 protein	0.0079	0.1999	0.1999
Entamoeba histolytica	hypothetical protein	0.006	0.1366	0.2564
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	1	1
Echinococcus granulosus	glycosyltransferase protein LARGE2	0.0076	0.1912	0.1912
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0086	0.2241	0.4208
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0266	0.0266
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0086	0.2241	0.2241
Echinococcus multilocularis	Glycosyl transferase, family 8	0.0079	0.1999	0.1999
Wolbachia endosymbiont of Brugia malayi	dUTPase	0.0174	0.5326	1
Toxoplasma gondii	hypothetical protein	0.0029	0.0287	0.0539
Entamoeba histolytica	hypothetical protein	0.0114	0.322	0.6046
Echinococcus multilocularis	Glycosyltransferase protein LARGE1	0.0058	0.1292	0.1292
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.0174	0.5326	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0086	0.2241	0.4208
Brugia malayi	Glycosyl transferase family 8 protein	0.0079	0.1999	0.3753
Schistosoma mansoni	kinase	0.0047	0.0906	0.0906
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0816	0.0816
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.25	0.4694
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0816	0.0816
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0266	0.0499
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.25	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0266	0.0266
Plasmodium falciparum	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0174	0.5326	1
Giardia lamblia	Kinase, PLK	0.0093	0.25	1
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0864	0.1622
Echinococcus multilocularis	conserved hypothetical protein	0.0058	0.1292	0.1292
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0075	0.0301
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0816	0.0816
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0287	0.0539
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0174	0.5326	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0086	0.2241	0.221
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0816	0.0816
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.25	0.4694
Brugia malayi	dUTP diphosphatase	0.0174	0.5326	1
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0266	0.0266
Brugia malayi	Importin beta-1 subunit	0.0029	0.0266	0.0499
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.25	0.4694
Entamoeba histolytica	hypothetical protein	0.0114	0.322	0.6046
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0174	0.5326	1
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0075	0.0141
Schistosoma mansoni	glycosyltransferase-related	0.0079	0.1999	0.1999
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.25	0.4694
Echinococcus granulosus	peptidase Clp S14 family	0.0056	0.1214	0.1214
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0086	0.2241	0.3878
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0086	0.2241	0.221
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0864	0.1622
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0266	0.1063
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0086	0.2241	1
Trichomonas vaginalis	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0174	0.5326	1
Toxoplasma gondii	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0174	0.5326	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0075	0.0141
Entamoeba histolytica	hypothetical protein	0.0174	0.5326	1
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0174	0.5326	1
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein	0.0174	0.5326	1
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0076	0.1912	0.1912
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0816	0.0816
Brugia malayi	Probable ClpP-like protease	0.0086	0.2241	0.4208
Treponema pallidum	deoxyuridine 5'-triphosphate nucleotidohydrolase (dut)	0.0174	0.5326	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0075	0.0141
Mycobacterium tuberculosis	Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase)	0.006	0.1366	1
Echinococcus granulosus	dUTP pyrophosphatase	0.0174	0.5326	0.5326
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0816	0.1531
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0086	0.2241	0.4208
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0056	0.1214	0.4744
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.25	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.25	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0816	0.0816
Entamoeba histolytica	hypothetical protein	0.0174	0.5326	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.25	0.4694
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0816	0.0816
Echinococcus granulosus	Glycosyltransferase protein LARGE1	0.0058	0.1292	0.1292
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.25	0.25
Mycobacterium leprae	PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE)	0.006	0.1366	0.5521
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.25	0.4694
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.25	0.4694
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0266	0.1063
Loa Loa (eye worm)	dUTP diphosphatase	0.0174	0.5326	0.5326
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0076	0.1912	0.1912
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.25	1
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0266	0.0499
Schistosoma mansoni	importin beta-1	0.0029	0.0266	0.0266
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0086	0.2241	0.4208
Schistosoma mansoni	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0174	0.5326	0.5326
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0086	0.2241	0.221
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.25	0.25
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0816	0.0816
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.25	0.25
Trypanosoma brucei	polo-like protein kinase	0.0093	0.25	1
Echinococcus granulosus	Glycosyl transferase family 8	0.0079	0.1999	0.1999
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.25	0.4694
Loa Loa (eye worm)	hypothetical protein	0.0086	0.2241	0.2241
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.25	0.4694
Echinococcus multilocularis	snurportin 1	0.0308	1	1
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative	0.0174	0.5326	1
Plasmodium vivax	deoxyuridine 5'-triphosphate nucleotidohydrolase, putative	0.0174	0.5326	1
Echinococcus multilocularis	glycosyltransferase protein LARGE2	0.0076	0.1912	0.1912
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0075	0.0301
Schistosoma mansoni	peptidase Clp (S14 family)	0.0086	0.2241	0.2241
Entamoeba histolytica	deoxyuridine 5-triphosphate nucleotidohydrolase, putative	0.006	0.1366	0.2564
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0287	0.0539
Entamoeba histolytica	deoxycytidine triphosphate deaminase, putative	0.006	0.1366	0.2564
Entamoeba histolytica	hypothetical protein	0.0023	0.0075	0.0141
Chlamydia trachomatis	deoxyuridine 5'-triphosphate nucleotidohydrolase	0.0174	0.5326	1

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 669928