TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 402.274 | Formula: C20H17Cl2N3O2
H donors: 0 H acceptors: 1 LogP: 5.16 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC1Oc2ccccc2/C(=N/OCc2ccc(cc2Cl)Cl)/C1n1cncc1
InChi: 1S/C20H17Cl2N3O2/c1-13-20(25-9-8-23-12-25)19(16-4-2-3-5-18(16)27-13)24-26-11-14-6-7-15(21)10-17(14)22/h2-10,12-13,20H,11H2,1H3/b24-19-
InChiKey: DNNDXTAMCXBGBD-CLCOLTQESA-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
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.1049	0.0937
Onchocerca volvulus		0.0049	0.0848	0.1147
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.1859	0.2022
Mycobacterium ulcerans	lipase LipD	0.0043	0.0618	1
Loa Loa (eye worm)	hypothetical protein	0.0195	0.6307	0.6204
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0618	0.0358
Echinococcus granulosus	chromobox protein 1	0.0076	0.1859	0.1728
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.531	0.6104
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.531	0.6104
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0618	0.0672
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0107	0.3026	0.8436
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1231	0.0988
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0779	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.531	0.6104
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0049	0.0848	0.0252
Brugia malayi	Cell death protein 3 precursor	0.007	0.1632	0.1361
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0618	0.0672
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0618	0.0358
Onchocerca volvulus		0.0043	0.0618	0.0691
Brugia malayi	beta-lactamase family protein	0.0043	0.0618	0.0106
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.1231	0.0865
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0618	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0058	0.1206	0.0645
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0618	0.0672
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0618	0.0555
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0618	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0618	0.0358
Brugia malayi	beta-lactamase	0.0043	0.0618	0.0106
Brugia malayi	jmjC domain containing protein	0.0058	0.1206	0.0834
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0618	0.0672
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0618	0.0155
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	0.8605	1
Echinococcus multilocularis	caspase 2	0.007	0.1632	0.1111
Onchocerca volvulus		0.0043	0.0618	0.0691
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	0.8605	1
Plasmodium falciparum	glutathione reductase	0.0047	0.0779	0.5
Echinococcus granulosus	chromobox protein 1	0.0076	0.1859	0.1728
Brugia malayi	Thioredoxin reductase	0.0047	0.0779	0.0304
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0814	0.0348
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0618	1
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0286	0.9739	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.1231	0.0988
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.531	0.6104
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0779	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0618	0.0358
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0734	0.092
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0618	0.0106
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0618	0.0555
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0256	0.8605	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.1049	0.0937
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0734	0.0691
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0779	0.0223
Brugia malayi	beta-lactamase family protein	0.0043	0.0618	0.0106
Onchocerca volvulus		0.0048	0.0814	0.1079
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0618	0.0358
Brugia malayi	Heterochromatin protein 1	0.0076	0.1859	0.1642
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.1049	0.0473
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0618	0.0555
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0188	0.6046	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.531	0.6104
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0618	0.0672
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.3026	0.3287
Loa Loa (eye worm)	hypothetical protein	0.0234	0.7796	0.7735
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0779	0.0846
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.531	0.6104
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	0.8605	1
Onchocerca volvulus		0.0043	0.0618	0.0691
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.1206	0.0962
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0618	0.0672
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	0.8605	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0058	0.1206	0.0819
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.1231	0.0865
Echinococcus multilocularis	chromobox protein 1	0.0076	0.1859	0.136
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0618	0.0672
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0613	0.0549
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	0.8605	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.1206	0.1221
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.1049	0.0801
Echinococcus multilocularis	chromobox protein 1	0.0076	0.1859	0.136
Brugia malayi	chromobox protein homolog 3	0.0042	0.0613	0.0099
Brugia malayi	hypothetical protein	0.0234	0.7796	0.8999
Schistosoma mansoni	caspase-7 (C14 family)	0.007	0.1632	0.1993
Leishmania major	trypanothione reductase	0.0047	0.0779	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0618	0.0555
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0618	0.0672
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0779	0.0523
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.3472	0.3772
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.1049	0.06
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0848	0.0594
Mycobacterium tuberculosis	Probable reductase	0.0107	0.3026	0.3287
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.3026	0.3287
Schistosoma mansoni	jumonji domain containing protein	0.0058	0.1206	0.1221
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.1049	0.064
Echinococcus multilocularis	lysine specific demethylase 5A	0.0058	0.1206	0.0645
Echinococcus granulosus	survival motor neuron protein 1	0.0234	0.7796	1
Trypanosoma brucei	trypanothione reductase	0.0047	0.0779	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.1049	0.06
Echinococcus multilocularis	survival motor neuron protein 1	0.0234	0.7796	0.787
Loa Loa (eye worm)	heterochromatin protein 1	0.0076	0.1859	0.1633
Onchocerca volvulus	Cell death protein 3 homolog	0.007	0.1632	0.2701
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0618	0.0358
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0058	0.1206	0.1221
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0779	0.0523
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.1049	0.0473
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.3472	1
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0779	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0533	0.027
Echinococcus granulosus	apoptotic protease activating factor 1	0.0049	0.0848	0.032
Onchocerca volvulus	Glucosylceramidase homolog	0.0168	0.531	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0618	0.0358
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0618	0.0672
Loa Loa (eye worm)	hypothetical protein	0.007	0.1632	0.1399
Trichomonas vaginalis	glucosylceramidase, putative	0.0256	0.8605	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.3026	0.3287
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.1049	0.0937
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0618	0.0672
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0779	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.1859	0.2022
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0613	0.0681
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0618	0.0155
Schistosoma mansoni	chromobox protein	0.0076	0.1859	0.2405
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0734	0.0691
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0779	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0256	0.8605	0.8566
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.5649	0.6504
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0613	0.0353
Echinococcus granulosus	caspase 2	0.007	0.1632	0.1411
Loa Loa (eye worm)	hypothetical protein	0.0267	0.9025	0.8998
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.3472	0.3772
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0814	0.0509
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0058	0.1206	0.0819
Brugia malayi	hypothetical protein	0.0049	0.0848	0.0391
Brugia malayi	jmjC domain containing protein	0.0058	0.1206	0.0834
Trichomonas vaginalis	glucosylceramidase, putative	0.0177	0.5649	0.6504
Trichomonas vaginalis	glucosylceramidase, putative	0.0168	0.531	0.6104
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0618	0.0358
Trichomonas vaginalis	esterase, putative	0.0043	0.0618	0.0555
Schistosoma mansoni	hypothetical protein	0.0048	0.0814	0.0509
Schistosoma mansoni	chromobox protein	0.0076	0.1859	0.2405
Brugia malayi	glutathione reductase	0.0047	0.0779	0.0304
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0618	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0779	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.3026	0.3287
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.3472	0.3772
Schistosoma mansoni	hypothetical protein	0.0049	0.0848	0.0572
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0618	0.0555
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.3026	0.3287
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0272	0.9207	1
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0613	0.0549

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: CHEMBL1739552

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 1556802