TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 234.638 | Formula: C11H7ClN2O2
H donors: 1 H acceptors: 4 LogP: 2.37 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)C(=O)c1cncnc1)O
InChi: 1S/C11H7ClN2O2/c12-8-1-2-10(15)9(3-8)11(16)7-4-13-6-14-5-7/h1-6,15H
InChiKey: PNIQRSWKQLTJIH-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Mycobacterium ulcerans	hypothetical protein	0.0023	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.5844	0.5844
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0013	0.4045	0.4045
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.4045	0.4045
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.5277	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.5277	1
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0.5277	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0013	0.4045	0.4045
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0013	0.4045	0.7665
Echinococcus multilocularis	FTZ F1 alpha	0.0013	0.4045	0.7665
Loa Loa (eye worm)	hypothetical protein	0.0023	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0013	0.4045	0.7665
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.5844	0.5844
Echinococcus granulosus	ecdysone induced protein 78C	0.0013	0.4045	0.7665
Brugia malayi	AMP-binding enzyme family protein	0.0023	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.6421	0.6421
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0013	0.4045	0.7665
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0176	0.0176
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.5277	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0013	0.4045	0.7665
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0176	0.0176
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	1	1
Brugia malayi	hypothetical protein	0.0007	0.0176	0.0176
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0.5277	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.5277	0.8218
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0013	0.4045	0.4045
Loa Loa (eye worm)	hypothetical protein	0.0013	0.4045	0.4045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0013	0.4045	0.4045
Loa Loa (eye worm)	hypothetical protein	0.0013	0.4045	0.4045
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.6421	0.6421
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0013	0.4045	0.7665
Brugia malayi	photoreceptor-specific nuclear receptor	0.0013	0.4045	0.4045
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0013	0.4045	0.4045
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0013	0.4045	0.4045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0013	0.4045	0.4045
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0013	0.4045	0.4045
Brugia malayi	isocitrate dehydrogenase	0.0015	0.5277	0.5277
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.5277	0.5277
Schistosoma mansoni	thyroid hormone receptor	0.0013	0.4045	0.7665
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0176	0.0176
Brugia malayi	Steroid receptor seven-up type 2	0.0013	0.4045	0.4045
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0013	0.4045	0.4045
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0176	0.0176
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.5277	0.8218
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.5277	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0013	0.4045	0.7665
Schistosoma mansoni	nuclear hormone receptor	0.0013	0.4045	0.7665
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	1	1
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0176	0.0176
Brugia malayi	steroid hormone receptor	0.0013	0.4045	0.4045
Loa Loa (eye worm)	hypothetical protein	0.0017	0.6421	0.6421
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0013	0.4045	0.7665
Schistosoma mansoni	retinoic acid receptor RXR	0.0013	0.4045	0.7665
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.6421	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0007	0.0176	0.0176
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.5277	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0013	0.4045	0.4045
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	1	1
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.5277	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.6421	0.6421
Brugia malayi	nuclear hormone receptor	0.0013	0.4045	0.4045
Loa Loa (eye worm)	steroid hormone receptor	0.0013	0.4045	0.4045
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0013	0.4045	0.4045
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.4045	0.4045
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.5277	0.5277
Brugia malayi	Nuclear hormone receptor-like 1	0.0007	0.0176	0.0176
Onchocerca volvulus		0.0013	0.4045	0.4045
Brugia malayi	hypothetical protein	0.0007	0.0176	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0017	0.6421	0.6421
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0013	0.4045	0.7665
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0013	0.4045	0.7665
Loa Loa (eye worm)	hypothetical protein	0.0013	0.4045	0.4045
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0013	0.4045	0.7665
Loa Loa (eye worm)	hypothetical protein	0.0017	0.6421	0.6421
Schistosoma mansoni	thyroid hormone receptor	0.0013	0.4045	0.7665
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.5277	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.4045	0.4045
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	1	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0013	0.4045	0.7665
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0013	0.4045	0.7665
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0013	0.4045	0.4045
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0013	0.4045	0.4045
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0013	0.4045	0.7665
Onchocerca volvulus	Bile acid receptor homolog	0.0013	0.4045	0.4045
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0013	0.4045	0.7665
Loa Loa (eye worm)	hypothetical protein	0.0013	0.4045	0.4045
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0007	0.0176	0.0334
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0013	0.4045	0.4045
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.5844	0.5844
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0013	0.4045	0.7665
Loa Loa (eye worm)	hypothetical protein	0.0017	0.6421	0.6421
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0013	0.4045	0.7665
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.5277	0.5277
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0013	0.4045	0.4045
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0013	0.4045	0.7665
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0013	0.4045	0.4045
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.5277	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.5844	0.5844
Brugia malayi	Nuclear hormone receptor-like 1	0.0013	0.4045	0.4045
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	1	1
Onchocerca volvulus		0.0023	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.4045	0.4045
Brugia malayi	ecdysteroid receptor	0.0013	0.4045	0.4045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0013	0.4045	0.4045
Schistosoma mansoni	coup transcription factor	0.0013	0.4045	0.7665
Brugia malayi	nuclear receptor RXR	0.0007	0.0176	0.0176
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.5277	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0013	0.4045	0.4045
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0013	0.4045	0.7665
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0013	0.4045	0.7665
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0013	0.4045	0.7665
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0007	0.0176	0.0334
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.5277	0.5277
Loa Loa (eye worm)	hypothetical protein	0.0023	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0013	0.4045	0.7665
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0013	0.4045	0.7665
Brugia malayi	nuclear receptor NHR-88	0.0013	0.4045	0.4045
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0013	0.4045	0.4045
Loa Loa (eye worm)	hypothetical protein	0.0023	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0013	0.4045	0.7665
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0013	0.4045	0.7665
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0007	0.0176	0.0176
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0007	0.0176	0.0334
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0013	0.4045	0.4045
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0007	0.0176	0.0334
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0013	0.4045	0.4045
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.5277	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.5277	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0013	0.4045	0.4045
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.6421	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.6421	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 35 ug ml-1	Antifungal activity against Candida albicans MTCC-227 after 24 to 72 hrs by broth dilution method	ChEMBL.	24120267
MIC (functional)	= 68 ug ml-1	Antibacterial activity against Escherichia coli MTCC-119 after overnight incubation by two-fold broth dilution method	ChEMBL.	24120267

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: CHEMBL2440770

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 1794260