TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.829 | Formula: C19H15ClN8
H donors: 5 H acceptors: 3 LogP: 3.69 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NNc1nc(NN)c(c(n1)c1c([nH]c2c1cc(Cl)cc2)c1ccccc1)C#N
InChi: 1S/C19H15ClN8/c20-11-6-7-14-12(8-11)15(16(24-14)10-4-2-1-3-5-10)17-13(9-21)18(27-22)26-19(25-17)28-23/h1-8,24H,22-23H2,(H2,25,26,27,28)
InChiKey: MDAYBSFQZKKANI-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

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
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0274	0.098	0.1641
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0263	0.0923	0.9397
Brugia malayi	Protein kinase domain containing protein	0.0381	0.1533	0.2084
Echinococcus granulosus	nervana 2	0.073	0.3348	0.3327
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0263	0.0923	0.1595
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0188	0.0216
Echinococcus multilocularis	nervana 2	0.073	0.3348	0.3327
Schistosoma mansoni	serine/threonine protein kinase	0.0383	0.1547	0.152
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0738	0.3391	1
Echinococcus multilocularis	protein kinase c epsilon type	0.0383	0.1547	0.152
Trichomonas vaginalis	AGC family protein kinase	0.1184	0.5705	0.7877
Loa Loa (eye worm)	phosphatidylinositol 3-kinase catalytic subunit gamma	0.0144	0.0302	0.0318
Entamoeba histolytica	protein kinase, putative	0.111	0.5326	0.7362
Toxoplasma gondii	AGC kinase	0.111	0.5326	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0811	0.3771	0.3751
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0381	0.1533	0.1506
Echinococcus granulosus	serine:threonine protein kinase N2	0.0381	0.1533	0.1506
Echinococcus granulosus	serine/threonine protein kinase	0.0811	0.3771	0.3751
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.008	0.0067
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0381	0.1533	0.1762
Echinococcus multilocularis	nervana 2	0.073	0.3348	0.3327
Trichomonas vaginalis	AGC family protein kinase	0.1184	0.5705	0.7877
Echinococcus granulosus	Protein kinase C brain isozyme	0.0383	0.1547	0.152
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0738	0.3391	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.1478	0.7235	1
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0372	0.149	0.2025
Echinococcus granulosus	serine threonine protein kinase nrc	0.0738	0.3391	0.337
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0381	0.1533	0.1762
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1478	0.7235	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0096	0.0052	0.0028
Schistosoma mansoni	serine/threonine protein kinase	0.0381	0.1533	0.1506
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0381	0.1533	0.1506
Echinococcus granulosus	nervana 2	0.073	0.3348	0.3327
Loa Loa (eye worm)	phosphatidylinositol 3	0.1731	0.8549	1
Leishmania major	hypothetical protein, conserved	0.0156	0.0366	0.3521
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0122	0.0188	0.0156
Brugia malayi	Hr1 repeat family protein	0.0381	0.1533	0.2084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.0064	0.0045
Loa Loa (eye worm)	AGC/AKT protein kinase	0.1184	0.5705	0.6661
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.014	0.015
Schistosoma mansoni	serine/threonine protein kinase	0.0381	0.1533	0.1506
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0553	0.2431	0.4246
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0274	0.098	0.0952
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.014	0.015
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0263	0.0923	0.0894
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0263	0.0923	0.1276
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0686	0.3121	0.3099
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0263	0.0923	0.1238
Echinococcus granulosus	NDR protein kinase	0.0381	0.1533	0.1506
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0322	0.1228	0.12
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0122	0.0188	0.0156
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0263	0.0923	0.1241
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0738	0.3391	0.337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.0128	0.0133
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0274	0.098	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.014	0.015
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0532	0.2321	0.3178
Brugia malayi	p70 ribosomal S6 kinase beta	0.111	0.5326	0.735
Trichomonas vaginalis	AGC family protein kinase	0.1184	0.5705	0.7877
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0263	0.0923	0.1241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0103	0.0092	0.0083
Echinococcus multilocularis	protein kinase c iota type	0.0381	0.1533	0.1506
Echinococcus multilocularis	Zinc finger, PHD finger	0.0274	0.098	0.0952
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.008	0.0067
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.1413	0.6898	0.9535
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0263	0.0923	0.0894
Trichomonas vaginalis	AGC family protein kinase	0.0381	0.1533	0.2084
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0381	0.1533	0.1506
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0489	0.2095	0.2867
Entamoeba histolytica	protein kinase, putative	0.0381	0.1533	0.2119
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0381	0.1533	0.1506
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0112	0.014	0.0219
Trypanosoma cruzi	target of rapamycin kinase 3	0.0112	0.014	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0381	0.1533	0.1762
Entamoeba histolytica	hypothetical protein	0.1199	0.5784	0.7995
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.008	0.0066
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.008	0.0066
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.073	0.3348	0.3327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0188	0.0216
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0553	0.2431	0.3334
Giardia lamblia	Kinase, AGC PKA	0.0738	0.3391	0.887
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0381	0.1533	0.1506
Trichomonas vaginalis	PIKK family atypical protein kinase	0.01	0.0075	0.0061
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0817	0.3799	1
Entamoeba histolytica	protein kinase, putative	0.1184	0.5705	0.7886
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1478	0.7235	1
Trichomonas vaginalis	AGC family protein kinase	0.1184	0.5705	0.7877
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0381	0.1533	0.1762
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0122	0.0188	0.0156
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0344	0.1343	0.3199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0103	0.0092	0.0083
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0553	0.2431	0.3361
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0381	0.1533	0.1506
Schistosoma mansoni	serine/threonine kinase	0.0381	0.1533	0.1506
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0738	0.3391	0.4666
Schistosoma mansoni	atypical protein kinase C	0.0381	0.1533	0.1506
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0383	0.1547	0.1779
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.1096	0.525	0.7245
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0274	0.098	0.1317
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0811	0.3771	0.5212
Schistosoma mansoni	serine/threonine protein kinase	0.0383	0.1547	0.152
Schistosoma mansoni	serine/threonine-protein kinase	0.0811	0.3771	0.3751
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0645	0.2908	0.4019
Loa Loa (eye worm)	hypothetical protein	0.0553	0.2431	0.2817
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.008	0.0066
Schistosoma mansoni	serine/threonine protein kinase	0.0383	0.1547	0.152
Trichomonas vaginalis	AGC family protein kinase	0.0381	0.1533	0.2084
Trichomonas vaginalis	AGC family protein kinase	0.0454	0.1913	0.2611
Brugia malayi	Protein kinase domain containing protein	0.1184	0.5705	0.7877
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0274	0.098	0.0952
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0553	0.2431	0.3331
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1478	0.7235	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0122	0.0188	0.022
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0092	0.0032	0.0029
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0553	0.2431	0.3331
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0122	0.0188	0.022
Entamoeba histolytica	protein kinase 2, putative	0.0738	0.3391	0.4687
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0096	0.0052	0.0028
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0122	0.0188	0.0303
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.0128	0.0133
Trichomonas vaginalis	AGC family protein kinase	0.1184	0.5705	0.7877
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1068	0.5106	0.7044
Loa Loa (eye worm)	phosphatidylinositol 3	0.0489	0.2095	0.2422
Loa Loa (eye worm)	phosphatidylinositol 3	0.0122	0.0188	0.0183
Brugia malayi	Protein kinase domain containing protein	0.0381	0.1533	0.2084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.014	0.015
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0383	0.1547	0.152
Trichomonas vaginalis	AGC family protein kinase	0.1184	0.5705	0.7877
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.0128	0.0133
Schistosoma mansoni	serine/threonine protein kinase	0.0381	0.1533	0.1506
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0263	0.0923	0.1047
Echinococcus multilocularis	Glutaredoxin protein 5	0.073	0.3348	0.3327
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.1061	0.507	0.5054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.0128	0.0133
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0107	0.0112	0.0112
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.1478	0.7235	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.014	0.015
Trichomonas vaginalis	AGC family protein kinase	0.0381	0.1533	0.2084
Echinococcus multilocularis	serine threonine protein kinase	0.0383	0.1547	0.152
Echinococcus granulosus	protein kinase c iota type	0.0381	0.1533	0.1506
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.0128	0.0133
Echinococcus granulosus	Glutaredoxin protein 5	0.073	0.3348	0.3327
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0263	0.0923	0.1238
Trypanosoma cruzi	Protein kinase B	0.0811	0.3771	0.5193
Trichomonas vaginalis	AGC family protein kinase	0.1184	0.5705	0.7877
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0381	0.1533	0.1506
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0553	0.2431	0.3331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0096	0.0052	0.0028
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0122	0.0188	0.0303
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0092	0.0032	0.0004
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0122	0.0188	0.0259
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.1061	0.507	0.5054
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0553	0.2431	0.3331
Echinococcus granulosus	protein kinase c epsilon type	0.0383	0.1547	0.152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.008	0.0067
Brugia malayi	protein kinase C II.	0.0383	0.1547	0.2104
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0092	0.0032	0.0004
Trypanosoma brucei	rac serine-threonine kinase, putative	0.1184	0.5705	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.111	0.5326	0.6216
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0679	0.3085	0.4264
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0263	0.0923	0.1531
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0263	0.0923	0.1238
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0381	0.1533	0.1506
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0122	0.0188	0.0216
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0811	0.3771	0.5193
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0322	0.1228	0.12
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0122	0.0188	0.1643
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0738	0.3391	0.337
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0381	0.1533	0.1506
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0112	0.014	0.1139
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0092	0.0032	0.0029
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0381	0.1533	0.1762
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.0128	0.0133
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1199	0.5784	0.7995
Entamoeba histolytica	protein kinase, putative	0.1184	0.5705	0.7886
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.073	0.3348	0.3327
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0122	0.0188	0.1643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.011	0.0128	0.0133
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1478	0.7235	1
Loa Loa (eye worm)	hypothetical protein	0.1061	0.507	0.5915
Schistosoma mansoni	serine/threonine protein kinase	0.0381	0.1533	0.1506
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.1096	0.525	0.7245
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0263	0.0923	0.1276
Echinococcus granulosus	protein kinase C gamma type	0.0383	0.1547	0.152
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0811	0.3771	0.5212
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0188	0.0216
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.1478	0.7235	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.008	0.0067
Schistosoma mansoni	serine/threonine-protein kinase	0.0811	0.3771	0.3751
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0122	0.0188	0.0259
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0381	0.1533	0.1762
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0263	0.0923	0.0894

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: CHEMBL2259640

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 1837046