TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 478.297 | Formula: C22H16Cl2F3N5
H donors: 1 H acceptors: 2 LogP: 5.59 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC1=C(C(n2c(N1)ccn2)c1ccc(c(c1)Cl)Cl)c1nc2c(n1C)ccc(c2)C(F)(F)F
InChi: 1S/C22H16Cl2F3N5/c1-11-19(21-30-16-10-13(22(25,26)27)4-6-17(16)31(21)2)20(32-18(29-11)7-8-28-32)12-3-5-14(23)15(24)9-12/h3-10,20,29H,1-2H3
InChiKey: LPCVZVMPDVFMLI-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	potassium voltage-gated channel, shaker-related subfamily, member 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Potassium voltage-gated channel protein Shaker, putative	Get druggable targets OG5_127659	All targets in OG5_127659
Echinococcus granulosus	potassium voltage gated channel subfamily A	Get druggable targets OG5_127659	All targets in OG5_127659
Echinococcus multilocularis	potassium voltage gated channel subfamily A	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_127659	All targets in OG5_127659
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127659	All targets in OG5_127659
Echinococcus granulosus	potassium voltage gated channel protein	Get druggable targets OG5_127659	All targets in OG5_127659
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma japonicum	ko:K04876 potassium voltage-gated channel, Shaker-related subfamily A, member, putative	Get druggable targets OG5_127659	All targets in OG5_127659
Schistosoma japonicum	Potassium voltage-gated channel subfamily A member 5, putative	Get druggable targets OG5_127659	All targets in OG5_127659
Echinococcus multilocularis	potassium voltage gated channel protein	Get druggable targets OG5_127659	All targets in OG5_127659

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	voltage gated potassium channel	potassium voltage-gated channel, shaker-related subfamily, member 5	613 aa	521 aa	34.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0703	0.0703
Echinococcus granulosus	cathepsin l1	0.002	0.139	0.1229
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.0008	0.0183	0.0183
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.3774	0.3658
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0383	0.0383
Echinococcus granulosus	flap endonuclease 1	0.003	0.2367	0.2224
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Giardia lamblia	Flap structure-specific endonuclease	0.003	0.2367	0.5
Echinococcus granulosus	potassium voltage gated channel protein	0.0104	1	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.139	0.139
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0703	0.0703
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.001	0.0383	0.053
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.139	0.2968
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.003	0.2367	0.3276
Plasmodium vivax	vivapain-2	0.002	0.139	0.5872
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.139	0.5075
Plasmodium vivax	unspecified product	0.001	0.0383	0.1619
Entamoeba histolytica	hypothetical protein	0.0043	0.3774	1
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.139	0.1924
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.139	0.5075
Trypanosoma cruzi	major cysteine proteinase, putative	0.006	0.553	0.7656
Onchocerca volvulus		0.002	0.139	1
Onchocerca volvulus		0.002	0.139	1
Onchocerca volvulus	Cathepsin L homolog	0.002	0.139	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Trypanosoma cruzi	cysteine protease, putative	0.001	0.0383	0.053
Echinococcus granulosus	cysteine protease	0.001	0.0383	0.0204
Echinococcus granulosus	cathepsin L	0.001	0.0383	0.0204
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.139	0.1229
Plasmodium vivax	vivapain-3	0.001	0.0383	0.1619
Entamoeba histolytica	cysteine protease, putative	0.002	0.139	0.2968
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.3774	0.3774
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0703	0.1615
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0703	0.0944
Plasmodium vivax	vivapain-1	0.001	0.0383	0.1619
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0703	0.0703
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Loa Loa (eye worm)	fibroinase	0.002	0.139	0.139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.139	0.1229
Echinococcus multilocularis	cysteine protease	0.002	0.139	0.1229
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0104	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Entamoeba histolytica	hypothetical protein	0.0043	0.3774	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0077	0.7223	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.3774	0.3658
Loa Loa (eye worm)	flap endonuclease-1	0.003	0.2367	0.2367
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0703	0.0703
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Onchocerca volvulus	Cathepsin L homolog	0.002	0.139	1
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0008	0.0183	0.0183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Echinococcus granulosus	cathepsin l1	0.0013	0.0703	0.053
Schistosoma mansoni	voltage-gated potassium channel	0.0104	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Brugia malayi	Cathepsin L-like precursor	0.002	0.139	0.139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.139	0.5075
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Plasmodium vivax	flap endonuclease 1, putative	0.003	0.2367	1
Echinococcus multilocularis	potassium voltage gated channel protein	0.0104	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Onchocerca volvulus	Cathepsin F homolog	0.002	0.139	1
Trypanosoma cruzi	cysteine proteinase, putative	0.001	0.0383	0.053
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Leishmania major	cathepsin L-like protease	0.0077	0.7223	1
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0183	0.0183
Brugia malayi	Cathepsin L-like precursor	0.002	0.139	0.139
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.139	0.139
Entamoeba histolytica	hypothetical protein	0.0043	0.3774	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0077	0.7223	1
Leishmania major	cathepsin L-like protease	0.0077	0.7223	1
Loa Loa (eye worm)	voltage-gated potassium channel	0.0008	0.0183	0.0183
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Schistosoma mansoni	hypothetical protein	0.0043	0.3774	0.3774
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0183	0.0183
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.139	0.2968
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.139	0.5075
Onchocerca volvulus		0.002	0.139	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.139	0.1229
Trypanosoma cruzi	cysteine peptidase, putative	0.001	0.0383	0.053
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0383	0.0383
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.139	0.1229
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.139	0.139
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0703	0.0703
Brugia malayi	Cathepsin L-like precursor	0.002	0.139	0.139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Onchocerca volvulus		0.002	0.139	1
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0183	0.0183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.139	0.139
Loa Loa (eye worm)	hypothetical protein	0.002	0.139	0.139
Entamoeba histolytica	hypothetical protein	0.0043	0.3774	1
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.003	0.2367	1
Trypanosoma cruzi	cysteine proteinase, putative	0.001	0.0383	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0703	0.1615
Echinococcus multilocularis	cysteine protease	0.002	0.139	0.1229
Trypanosoma cruzi	cysteine peptidase, putative	0.0077	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.0104	1	1
Trichomonas vaginalis	flap endonuclease-1, putative	0.003	0.2367	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.139	0.1229
Entamoeba histolytica	Flap nuclease, putative	0.003	0.2367	0.5849
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Brugia malayi	Cathepsin L-like precursor	0.002	0.139	0.139
Loa Loa (eye worm)	cysteine protease	0.002	0.139	0.139
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Onchocerca volvulus		0.002	0.139	1
Plasmodium falciparum	flap endonuclease 1	0.003	0.2367	1
Echinococcus multilocularis	cathepsin L	0.001	0.0383	0.0204
Schistosoma mansoni	flap endonuclease-1	0.0027	0.2073	0.2073
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Leishmania major	cathepsin L-like protease	0.0077	0.7223	1
Brugia malayi	cathepsin L-like precursor	0.0013	0.0703	0.0703
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0183	0.0183
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0183	0.0183
Brugia malayi	hypothetical protein	0.0043	0.3774	0.3774
Brugia malayi	Cathepsin L-like precursor	0.002	0.139	0.139
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.003	0.2367	0.29
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0183	0.0183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.007	0.6537	0.905
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.139	0.1229
Trypanosoma cruzi	cysteine peptidase, putative	0.0077	0.7223	1
Brugia malayi	Flap endonuclease-1	0.003	0.2367	0.2367
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Onchocerca volvulus		0.002	0.139	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Brugia malayi	Papain family cysteine protease containing protein	0.001	0.0383	0.0383
Schistosoma mansoni	voltage-gated potassium channel	0.0008	0.0183	0.0183
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0703	0.0703
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.139	0.139
Loa Loa (eye worm)	ctsf protein	0.002	0.139	0.139
Echinococcus multilocularis	flap endonuclease 1	0.003	0.2367	0.2224
Schistosoma mansoni	vesicular amine transporter	0.0008	0.0183	0.0183
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.139	0.5075
Schistosoma mansoni	voltage-gated potassium channel	0.0104	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0099	0.9533	0.9524
Onchocerca volvulus		0.002	0.139	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.139	0.5075
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.139	0.139
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0077	0.7223	1
Plasmodium vivax	vivapain-2	0.002	0.139	0.5872
Echinococcus granulosus	cathepsin L cysteine protease	0.001	0.0383	0.0204
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.003	0.2367	0.1675
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.139	0.5075
Brugia malayi	Papain family cysteine protease containing protein	0.001	0.0383	0.0383
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0383	0.0383

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.54 uM	Inhibition of human Kv1.5 channel expressed in mouse L929 cells	ChEMBL.	19665893

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: CHEMBL585353

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1085273