TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 266.725 | Formula: C16H11ClN2
H donors: 0 H acceptors: 2 LogP: 4.05 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)ccc(n2)/C=C/c1cccnc1
InChi: 1S/C16H11ClN2/c17-14-5-8-16-13(10-14)4-7-15(19-16)6-3-12-2-1-9-18-11-12/h1-11H/b6-3+
InChiKey: AQBUNPWMHNDBKJ-ZZXKWVIFSA-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
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0091	0.1973
Trichomonas vaginalis	CAMK family protein kinase	0.0031	0.0089	0.1927
Echinococcus multilocularis	choline O acetyltransferase	0.0229	0.095	0.1941
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0091	0.0561
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0052	0.0308
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0323	0.1359	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0031	0.0089	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0089	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0061	0.0054
Brugia malayi	Cam kinase protein 1	0.0031	0.0089	0.0074
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0323	0.1359	0.1353
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0091	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Mycobacterium ulcerans	sugar transporter	0.0014	0.0015	0.2954
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0086	0.0147
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0052	1
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0086	0.0759
Brugia malayi	Choline O-acetyltransferase	0.0229	0.095	0.0936
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0091	0.0561
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0091	0.0561
Brugia malayi	Sugar transporter family protein	0.0102	0.0398	0.0383
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0031	0.0089	0.0548
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0086	0.0147
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0229	0.095	0.6957
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0031	0.0089	0.0404
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0086	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0086	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0031	0.0089	0.0617
Schistosoma mansoni	glucose transport protein	0.0102	0.0398	0.409
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0015	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0031	0.0089	0.0404
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0108	0.0692
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0031	0.0089	0.0617
Trypanosoma cruzi	hexose transporter	0.0032	0.0091	0.0157
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0091	0.1973
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0323	0.1359	0.279
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0229	0.095	0.0943
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0229	0.095	0.1941
Entamoeba histolytica	protein kinase, putative	0.0031	0.0089	1
Plasmodium vivax	hexose transporter	0.0102	0.0398	0.2094
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0091	0.0561
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0091	0.0561
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0323	0.1359	0.279
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0028	0.0027
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0091	0.0561
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0015	0.0008
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0108	0.0193
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.004	0.0641
Entamoeba histolytica	protein kinase, putative	0.0031	0.0089	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0398	0.0794
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0052	0.0076
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0229	0.095	0.0936
Mycobacterium ulcerans	integral membrane transport protein	0.0014	0.0015	0.2954
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0086	0.9253
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0086	0.0079
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.0398	0.3201
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0323	0.1359	0.279
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0031	0.0089	0.0074
Echinococcus granulosus	choline O acetyltransferase	0.0229	0.095	0.1941
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0037	1
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0052	0.0076
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0091	0.0561
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0108	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0089	0.0153
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0031	0.0089	0.0404
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0086	0.0759
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0086	0.0071
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0108	0.0779
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0031	0.0089	0.0404
Onchocerca volvulus		0.0229	0.095	1
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0108	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0052	0.0961
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0091	0.1973
Schistosoma mansoni	protein kinase	0.0031	0.0089	0.0788
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0091	0.1973
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0091	0.1973
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0398	0.0794
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0089	0.0153
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0091	0.0157
Plasmodium falciparum	protein kinase 6	0.0433	0.1841	1
Toxoplasma gondii	protein kinase, putative	0.0288	0.121	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0091	0.0561
Plasmodium falciparum	hexose transporter	0.0102	0.0398	0.2094
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0108	0.051
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0165	0.0672	0.5495
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0031	0.0089	0.0404
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0089	0.0153
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0229	0.095	0.1941
Schistosoma mansoni	protein kinase	0.0031	0.0089	0.0788
Leishmania major	glucose transporter, lmgt2	0.0032	0.0091	0.0157
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0015	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0089	0.0153
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0052	1
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.1119	0.4832	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0031	0.0089	0.0404
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0086	1
Schistosoma mansoni	hypothetical protein	0.0102	0.0398	0.409
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0398	0.0794
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.0398	0.0794
Loa Loa (eye worm)	sugar transporter	0.0102	0.0398	0.039
Schistosoma mansoni	protein kinase	0.0031	0.0089	0.0788
Onchocerca volvulus		0.0229	0.095	1
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0052	0.0201
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0081	0.0135
Trypanosoma cruzi	hypothetical protein, conserved	0.0229	0.095	0.1941
Trypanosoma cruzi	hypothetical protein, conserved	0.0229	0.095	0.1941
Echinococcus granulosus	General substrate transporter	0.0088	0.0335	0.0664
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0165	0.0672	0.3595
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0398	0.0794
Trypanosoma cruzi	hypothetical protein, conserved	0.0229	0.095	0.1941
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0031	0.0089	0.0153
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0229	0.095	0.1941
Trypanosoma cruzi	hypothetical protein, conserved	0.0229	0.095	0.1941
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0229	0.095	0.6957
Schistosoma mansoni	glucose transport protein	0.0102	0.0398	0.409
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0052	1
Loa Loa (eye worm)	hypothetical protein	0.2304	1	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0398	0.0794
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0091	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0229	0.095	0.0943
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0037	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0031	0.0089	0.0153
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0031	0.0089	0.0082
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0108	0.051
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0014	0.0015	0.2954
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0091	0.0157
Trypanosoma brucei	hypothetical protein, conserved	0.0229	0.095	0.6957
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0031	0.0089	0.0788
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0031	0.0089	0.0153
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0052	0.0076
Echinococcus multilocularis	General substrate transporter	0.0088	0.0335	0.0664
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0108	0.0193
Schistosoma mansoni	choline o-acyltransferase	0.0229	0.095	1
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0031	0.0089	0.0082
Leishmania major	glucose transporter, lmgt1	0.0032	0.0091	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0089	0.0082
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0081	0.0135
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.1119	0.4832	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.0398	0.0794
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0052	0.0393
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0433	0.1841	1
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.1119	0.4832	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0052	0.0045
Plasmodium falciparum	protein kinase 7	0.0288	0.121	0.6542
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0091	0.0157
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0323	0.1359	0.1346
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0031	0.0089	0.0404
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0086	0.1855
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0091	0.0157
Schistosoma mansoni	glucose transport protein	0.0102	0.0398	0.409
Loa Loa (eye worm)	sugar transporter	0.0014	0.0015	0.0008
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0091	0.0561
Leishmania major	carnitine/choline acetyltransferase, putative	0.0229	0.095	0.1941
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0229	0.095	0.6957
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.1119	0.4832	1
Onchocerca volvulus		0.0229	0.095	1
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.1119	0.4832	1
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0229	0.095	0.1941
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0091	0.0561
Trypanosoma cruzi	hypothetical protein, conserved	0.0229	0.095	0.1941
Onchocerca volvulus		0.0229	0.095	1
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0052	0.0273
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0091	0.0561
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.0398	1
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0052	0.3046
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0165	0.0672	0.3595
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0091	0.0561
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0031	0.0089	0.0404
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0091	0.0561
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0052	0.0076
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0229	0.095	0.1941
Schistosoma mansoni	choline o-acyltransferase	0.0229	0.095	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0052	0.0393
Brugia malayi	Choline O-acetyltransferase	0.0229	0.095	0.0936
Leishmania major	carnitine palmitoyltransferase-like protein	0.0323	0.1359	0.279
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0031	0.0089	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0014	0.0015	0.2954
Leishmania major	glucose transporter, lmgt3	0.0032	0.0091	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Loa Loa (eye worm)	choline O-acetyltransferase	0.0229	0.095	0.0943
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.0398	0.0794
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0052	0.0201
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0052	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0086	0.0079
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0052	0.5182
Leishmania major	protein kinase, putative	0.0031	0.0089	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0015	0.0008

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	> 250 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 32264 after 48 hrs by broth microdilution technique	ChEMBL.	23036332
MIC (functional)	> 250 ug ml-1	Antifungal activity against Saccharomyces cerevisiae ATCC 9763 after 48 hrs by broth microdilution technique	ChEMBL.	23036332
MIC (functional)	> 250 ug ml-1	Antifungal activity against Candida albicans ATCC 10231 after 48 hrs by broth microdilution technique	ChEMBL.	23036332

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: CHEMBL2159774

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 1720559