TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 326.737 | Formula: C16H11ClN4O2
H donors: 0 H acceptors: 4 LogP: 2.4 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)n1c(=O)c2c(c1=O)c1c(C)nn(c1nc2)C
InChi: 1S/C16H11ClN4O2/c1-8-12-13-11(7-18-14(12)20(2)19-8)15(22)21(16(13)23)10-5-3-9(17)4-6-10/h3-7H,1-2H3
InChiKey: NKOCFEOMNQDCBS-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
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0074	0.1379	0.277
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0706	0.0508
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0044	0.0659	0.1065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0682	0.0677
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0455	0.0817
Brugia malayi	glutathione reductase	0.0046	0.0706	0.0706
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0706	0.1128
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0682	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0439	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.2377	1
Schistosoma mansoni	eyes absent homolog	0.0096	0.1881	0.2532
Plasmodium falciparum	glutathione reductase	0.0046	0.0706	0.1655
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0682	0.0682
Brugia malayi	hypothetical protein	0.0096	0.1881	0.1881
Mycobacterium tuberculosis	Probable reductase	0.0105	0.21	0.3652
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0044	0.0659	0.0454
Toxoplasma gondii	ABC1 family protein	0.0035	0.0455	0.0817
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.2377	0.4267
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0706	0.1655
Onchocerca volvulus		0.0035	0.0455	0.0215
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0706	0.0559
Echinococcus granulosus	dihydrofolate reductase	0.0044	0.0659	0.1013
Echinococcus multilocularis	dihydrofolate reductase	0.0044	0.0659	0.1013
Chlamydia trachomatis	dihydrofolate reductase	0.0044	0.0659	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1076	0.0885
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1076	0.1076
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0074	0.1379	0.5
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0051	0.0833	0.2076
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1076	0.0885
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0047	0.0726	0.1176
Brugia malayi	thymidylate synthase	0.0108	0.2171	0.2171
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0706	0.1655
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.21	0.3652
Brugia malayi	exodeoxyribonuclease III family protein	0.0074	0.1379	0.1379
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0245	0.0245
Brugia malayi	hypothetical protein	0.0025	0.0209	0.0209
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0152	0.3212	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0074	0.1379	0.3895
Echinococcus multilocularis	polycomb protein SCMH1	0.0047	0.0726	0.1176
Trypanosoma brucei	trypanothione reductase	0.0046	0.0706	0.1655
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1076	0.1287
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0455	0.0817
Onchocerca volvulus		0.0439	1	1
Schistosoma mansoni	dihydrofolate reductase	0.0044	0.0659	0.0642
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1076	0.2031
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0152	0.3212	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0074	0.1379	0.277
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0682	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0455	0.025
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.21	0.3652
Brugia malayi	sulfakinin receptor protein	0.0432	0.9837	0.9837
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.2377	0.4267
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.21	0.3652
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0706	0.1655
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0879	0.155
Loa Loa (eye worm)	dihydrofolate reductase	0.0044	0.0659	0.046
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0074	0.1379	0.5384
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0879	0.0879
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0879	0.155
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1076	0.2031
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0108	0.2171	0.2981
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0682	0.0677
Brugia malayi	Dihydrofolate reductase	0.0044	0.0659	0.0659
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0455	0.0513
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0044	0.0659	0.1193
Onchocerca volvulus		0.0047	0.0726	0.0493
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0706	0.1128
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0726	0.0745
Brugia malayi	intermediate filament protein	0.0026	0.0245	0.0245
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0455	0.0455
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0455	0.0325
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.21	0.3652
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0455	0.025
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0108	0.2171	0.381
Echinococcus multilocularis	thymidylate synthase	0.0108	0.2171	0.4705
Echinococcus multilocularis	Protein lozenge	0.0055	0.0921	0.1652
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0706	0.0508
Brugia malayi	beta-lactamase family protein	0.0035	0.0455	0.0455
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0152	0.3212	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0108	0.2171	0.8929
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0152	0.3212	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0455	0.025
Leishmania major	hypothetical protein, conserved	0.0035	0.0455	0.0817
Brugia malayi	hypothetical protein	0.0051	0.0833	0.0833
Brugia malayi	RNA binding protein	0.0062	0.1076	0.1076
Brugia malayi	hypothetical protein	0.0432	0.9837	0.9837
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0074	0.1379	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0074	0.1379	0.5
Onchocerca volvulus		0.0035	0.0455	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1881	0.1707
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0682	0.0677
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0879	0.155
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0726	0.0528
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.21	0.3652
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0455	0.025
Loa Loa (eye worm)	MBCTL1	0.0053	0.0879	0.0684
Brugia malayi	mbt repeat family protein	0.0047	0.0726	0.0726
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0074	0.1379	0.3895
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0074	0.1379	0.3895
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0682	0.1068
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0706	0.1655
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0455	0.0817
Brugia malayi	beta-lactamase family protein	0.0035	0.0455	0.0455
Echinococcus granulosus	polycomb protein SCMH1	0.0047	0.0726	0.1176
Loa Loa (eye worm)	runx1	0.0055	0.0921	0.0727
Brugia malayi	Thioredoxin reductase	0.0046	0.0706	0.0706
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0245	0.0036
Brugia malayi	TAR-binding protein	0.0062	0.1076	0.1076
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0833	0.4093
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0226	0.496	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0047	0.0726	0.1176
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.21	0.856
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0455	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0455	0.025
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0682	0.1068
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0074	0.1379	0.3895
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0455	0.0817
Schistosoma mansoni	lozenge	0.0055	0.0921	0.1046
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0879	0.0684
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0047	0.0726	0.0745
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0074	0.1379	0.3895
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1076	0.0885
Schistosoma mansoni	sex comb on midleg homolog	0.0047	0.0726	0.0745
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1076	0.1287
Trichomonas vaginalis	ap endonuclease, putative	0.0074	0.1379	1
Loa Loa (eye worm)	hypothetical protein	0.0432	0.9837	0.9834
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0074	0.1379	0.3895
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.02	0.4338	1
Mycobacterium tuberculosis	Hypothetical protein	0.0051	0.0833	0.084
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0879	0.0982
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0682	0.0483
Echinococcus granulosus	thymidylate synthase	0.0108	0.2171	0.4705
Leishmania major	trypanothione reductase	0.0046	0.0706	0.1655
Brugia malayi	dihydrofolate reductase family protein	0.0044	0.0659	0.0659
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0152	0.3212	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0455	0.025
Schistosoma mansoni	ap endonuclease	0.0074	0.1379	0.1755
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1881	0.1707
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1076	0.1287
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.02	0.4338	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1076	0.1287
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0233	0.0024
Mycobacterium ulcerans	thymidylate synthase	0.0108	0.2171	1
Loa Loa (eye worm)	thymidylate synthase	0.0108	0.2171	0.2003
Toxoplasma gondii	exonuclease III APE	0.0074	0.1379	0.3895
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0455	0.025
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0074	0.1379	0.2051
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0706	0.1655
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1076	0.1287
Brugia malayi	beta-lactamase	0.0035	0.0455	0.0455
Schistosoma mansoni	ap endonuclease	0.0074	0.1379	0.1755
Onchocerca volvulus		0.0035	0.0455	0.0215
Brugia malayi	mbt repeat family protein	0.0047	0.0726	0.0726
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0152	0.3212	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0455	0.025
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0245	0.0036
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.2377	0.4267
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0047	0.0726	0.0493
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0879	0.155
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0074	0.1379	0.1194
Schistosoma mansoni	hypothetical protein	0.03	0.6707	1
Onchocerca volvulus		0.0108	0.2171	0.1974
Loa Loa (eye worm)	hypothetical protein	0.0439	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0074	0.1379	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0455	0.0513
Loa Loa (eye worm)	mbt repeat family protein	0.0047	0.0726	0.0528
Trichomonas vaginalis	ap endonuclease, putative	0.0074	0.1379	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0245	0.0036

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: CHEMBL604244

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 1100209