TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.801 | Formula: C19H15ClN4O2
H donors: 0 H acceptors: 3 LogP: 4.04 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1n1ncc(c1C)c1nnc(o1)c1ccccc1)Cl
InChi: 1S/C19H15ClN4O2/c1-12-15(19-23-22-18(26-19)13-6-4-3-5-7-13)11-21-24(12)16-10-14(20)8-9-17(16)25-2/h3-11H,1-2H3
InChiKey: UBUNMQANZNUSDS-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
Trichomonas vaginalis	glucosylceramidase, putative	0.0529	0.6426	0.6388
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0086	0.0713	0.225
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0102	0.0924	0.1571
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0086	0.0713	0.1267
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0564	0.688	0.8937
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0086	0.0713	0.0729
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0414	0.0414
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0409	0.4881	1
Plasmodium falciparum	thioredoxin reductase	0.0247	0.2796	0.4998
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0247	0.2796	0.4752
Trichomonas vaginalis	set domain proteins, putative	0.0241	0.2719	0.264
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0627	0.7691	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0414	0.0424
Onchocerca volvulus	Glucosylceramidase homolog	0.0529	0.6426	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0529	0.6426	0.6388
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0414	0.0414
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0409	0.4881	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0409	0.4881	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0086	0.0713	0.225
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0409	0.4881	0.8297
Plasmodium vivax	glutathione reductase, putative	0.0247	0.2796	0.5728
Brugia malayi	jmjC domain containing protein	0.0066	0.0455	0.0455
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0066	0.0455	0.0774
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.0851	0.1446
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0564	0.688	0.8937
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0068	0.0486	0.0497
Mycobacterium tuberculosis	Probable dehydrogenase	0.0564	0.688	0.8937
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0414	0.0424
Schistosoma mansoni	hypothetical protein	0.0099	0.088	0.0901
Toxoplasma gondii	hypothetical protein	0.0141	0.1425	0.2919
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0268	0.3064	0.394
Trichomonas vaginalis	glucosylceramidase, putative	0.0529	0.6426	0.6388
Trichomonas vaginalis	glucosylceramidase, putative	0.0805	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0805	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0247	0.2796	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0409	0.4881	1
Schistosoma mansoni	survival motor neuron protein	0.0099	0.088	0.0901
Loa Loa (eye worm)	jmjC domain-containing protein	0.0066	0.0455	0.0455
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0414	0.0424
Schistosoma mansoni	peptidase Clp (S14 family)	0.0409	0.4881	0.4993
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0068	0.0486	0.0497
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0086	0.0713	0.225
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0141	0.1425	0.2919
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.0851	0.1446
Echinococcus granulosus	survival motor neuron protein 1	0.0484	0.5847	0.9939
Schistosoma mansoni	jumonji domain containing protein	0.0066	0.0455	0.0466
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0102	0.0924	0.0945
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.0851	0.0851
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0268	0.3064	0.5209
Echinococcus granulosus	peptidase Clp S14 family	0.0268	0.3064	0.5209
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0108	0.0183
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0086	0.0713	0.225
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0086	0.0713	0.1267
Brugia malayi	Melibiase family protein	0.0068	0.0486	0.0486
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0066	0.0455	0.0466
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0141	0.1425	0.1708
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.0851	0.1446
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0414	0.0424
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0086	0.0713	0.225
Echinococcus granulosus	thioredoxin glutathione reductase	0.0247	0.2796	0.4752
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0102	0.0924	0.0945
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0108	0.5
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0099	0.088	0.088
Mycobacterium tuberculosis	Probable oxidoreductase	0.0627	0.7691	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0086	0.0713	0.225
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0414	0.0704
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0414	0.0424
Echinococcus granulosus	neuropeptide receptor A26	0.0486	0.5883	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0409	0.4881	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0066	0.0455	0.0466
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.0851	0.087
Brugia malayi	Pre-SET motif family protein	0.0212	0.2342	0.2342
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0102	0.0924	0.1571
Loa Loa (eye worm)	thioredoxin reductase	0.0247	0.2796	0.2796
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0409	0.4881	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.0851	0.1446
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0409	0.4881	0.6319
Plasmodium vivax	thioredoxin reductase, putative	0.0247	0.2796	0.5728
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0627	0.7691	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0805	1	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0409	0.4881	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0102	0.0924	0.0945
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0409	0.4881	1
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0414	0.0414
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0564	0.688	0.8937
Loa Loa (eye worm)	inositol-1	0.0039	0.0108	0.0108
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0086	0.0713	0.225
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.0851	0.0851
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0268	0.3064	0.394
Brugia malayi	glutathione reductase	0.0247	0.2796	0.2796
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0414	0.0704
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0108	0.0221
Loa Loa (eye worm)	glutathione reductase	0.0247	0.2796	0.2796
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0108	0.011
Trichomonas vaginalis	glutathione reductase, putative	0.0086	0.0713	0.0611
Trichomonas vaginalis	glucosylceramidase, putative	0.0805	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0805	1	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0484	0.5847	0.9939
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0564	0.688	0.8937
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0086	0.0713	0.225
Mycobacterium tuberculosis	Probable reductase	0.0564	0.688	0.8937
Brugia malayi	hypothetical protein	0.0484	0.5847	0.5847
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0063	0.0419	0.0419
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0409	0.4881	0.8297
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0086	0.0713	0.1211
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0141	0.1425	0.1708
Trypanosoma brucei	trypanothione reductase	0.0247	0.2796	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0086	0.0713	0.225
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0247	0.2796	0.3589
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0141	0.1425	0.1793
Toxoplasma gondii	melibiase subfamily protein	0.0102	0.0924	0.1893
Echinococcus multilocularis	neuropeptide receptor A26	0.0486	0.5883	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0086	0.0713	0.5
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0086	0.0713	0.146
Echinococcus multilocularis	lysine specific demethylase 5A	0.0066	0.0455	0.0774
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0086	0.0713	0.225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.0851	0.087
Onchocerca volvulus		0.0099	0.088	0.137
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0086	0.0713	0.1267
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0108	0.0183
Brugia malayi	RNA binding protein	0.0063	0.0414	0.0414
Echinococcus granulosus	lysine specific demethylase 5A	0.0066	0.0455	0.0774
Echinococcus granulosus	neuropeptide s receptor	0.0486	0.5883	1
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0063	0.0419	0.0419
Trichomonas vaginalis	glucosylceramidase, putative	0.0529	0.6426	0.6388
Trichomonas vaginalis	glucosylceramidase, putative	0.0529	0.6426	0.6388
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0414	0.0414
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0086	0.0713	0.225
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0212	0.2342	0.2342
Trichomonas vaginalis	glucosylceramidase, putative	0.0529	0.6426	0.6388
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0627	0.7691	1
Brugia malayi	jmjC domain containing protein	0.0066	0.0455	0.0455
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0564	0.688	0.8937
Onchocerca volvulus		0.0241	0.2719	0.4232
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0102	0.0924	0.1571
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0805	1	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0486	0.0486
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0409	0.4881	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0268	0.3064	0.394
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0409	0.4881	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0086	0.0713	0.225
Trichomonas vaginalis	mercuric reductase, putative	0.0086	0.0713	0.0611
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0086	0.0713	0.225
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0068	0.0486	0.0382
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0086	0.0713	0.0713
Trichomonas vaginalis	glucosylceramidase, putative	0.0805	1	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0086	0.0713	0.225
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0086	0.0713	0.225
Trichomonas vaginalis	glucosylceramidase, putative	0.0557	0.6794	0.6759
Loa Loa (eye worm)	hypothetical protein	0.0409	0.4881	0.4881
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0086	0.0713	0.225
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0086	0.0713	0.1267
Echinococcus multilocularis	neuropeptide s receptor	0.0486	0.5883	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0086	0.0713	0.146
Brugia malayi	TAR-binding protein	0.0063	0.0414	0.0414
Brugia malayi	Probable ClpP-like protease	0.0409	0.4881	0.4881
Trichomonas vaginalis	glucosylceramidase, putative	0.0557	0.6794	0.6759
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0086	0.0713	0.1267
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0086	0.0713	0.0861
Brugia malayi	Inositol-1	0.0039	0.0108	0.0108
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0066	0.0455	0.0774
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0086	0.0713	0.146
Toxoplasma gondii	NADPH-glutathione reductase	0.0086	0.0713	0.146
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0086	0.0713	0.1211
Leishmania major	trypanothione reductase	0.0247	0.2796	1
Plasmodium falciparum	glutathione reductase	0.0247	0.2796	0.4998
Brugia malayi	Thioredoxin reductase	0.0247	0.2796	0.2796
Toxoplasma gondii	thioredoxin reductase	0.0247	0.2796	0.5728
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0102	0.0924	0.0945
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.0851	0.087
Trichomonas vaginalis	glucosylceramidase, putative	0.0529	0.6426	0.6388
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0086	0.0713	0.225
Loa Loa (eye worm)	hypothetical protein	0.0484	0.5847	0.5847
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0108	0.011

Activities

Activity type	Activity value	Assay description	Source	Reference
IZ (functional)	= 14 mm	Antibacterial activity against Escherichia coli ATCC 8739 at 100 ug/ml after 24 hrs by agar cup plate method	ChEMBL.	19640616
MIC (functional)	= 40.6 ug ml-1	Antibacterial activity against Escherichia coli ATCC 8739 after 24 hrs by microtitration method	ChEMBL.	19640616

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: CHEMBL568559

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 1065600