TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 287.271 | Formula: C14H13N3O4
H donors: 2 H acceptors: 5 LogP: 1.93 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)c1cnc2c(c1O)cc1c(n2)N2CCC[C@H]2CO1
InChi: 1S/C14H13N3O4/c18-11-8-4-10-13(17-3-1-2-7(17)6-21-10)16-12(8)15-5-9(11)14(19)20/h4-5,7H,1-3,6H2,(H,19,20)(H,15,16,18)/t7-/m0/s1
InChiKey: ATXAKUZQIIBBGW-ZETCQYMHSA-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
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0001
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.002	0.5
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.002	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0001
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0202	0.0227
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0076	0.5
Plasmodium falciparum	cysteine repeat modular protein 1	0.009	0.094	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0033	0.0201	0.0225
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0076	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0076	0.0084
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0033	0.0201	0.0226
Schistosoma mansoni	tar DNA-binding protein	0.0275	0.3323	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0033	0.0201	0.0225
Brugia malayi	Kringle domain containing protein	0.009	0.094	0.1056
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0001
Schistosoma mansoni	hypothetical protein	0.009	0.094	0.2828
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0033	0.0201	0.0226
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0708	0.8894	1
Brugia malayi	RNA recognition motif domain containing protein	0.0275	0.3323	0.3735
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0226
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0033	0.0201	0.0225
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0033	0.0201	0.0225
Schistosoma mansoni	hypothetical protein	0.0033	0.0202	0.0605
Schistosoma mansoni	RAR-like nuclear receptor	0.0033	0.0201	0.0603
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0201	0.0225
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0033	0.0201	0.0603
Brugia malayi	latrophilin 2 splice variant baaae	0.0071	0.0695	0.0781
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0076	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0076	0.0085
Schistosoma mansoni	hypothetical protein	0.0033	0.0202	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0019	0.002	0.0022
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0033	0.0201	0.0603
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.0201	0.0603
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0076	0.0085
Schistosoma mansoni	hypothetical protein	0.0033	0.0202	0.0605
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0202	0.0201
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0201	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0226
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0033	0.0201	0.0226
Onchocerca volvulus	Bile acid receptor homolog	0.0033	0.0201	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0226
Schistosoma mansoni	tar DNA-binding protein	0.0275	0.3323	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0202	0.0227
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0033	0.0201	0.0226
Brugia malayi	nuclear hormone receptor	0.0033	0.0201	0.0225
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0202	0.0201
Schistosoma mansoni	hypothetical protein	0.0033	0.0202	0.0605
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.002	0.0022
Brugia malayi	Protein kinase domain containing protein	0.009	0.094	0.1056
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0226
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0033	0.0201	0.0603
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0076	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0076	0.0604
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.002	0.0019
Schistosoma mansoni	hypothetical protein	0.0071	0.0695	0.209
Brugia malayi	steroid hormone receptor	0.0033	0.0201	0.0225
Loa Loa (eye worm)	RNA binding protein	0.0275	0.3323	0.3736
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0226
Echinococcus multilocularis	dna polymerase eta	0.0019	0.002	0.0019
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0033	0.0201	0.0603
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0076	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0033	0.0201	0.02
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0076	0.0084
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.002	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0104	0.112	0.1259
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0033	0.0201	0.0225
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0076	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0076	1
Leishmania major	hypothetical protein, conserved	0.009	0.094	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0201	0.0225
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0033	0.0201	0.0603
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0201	0.0225
Brugia malayi	ecdysteroid receptor	0.0033	0.0201	0.0225
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0033	0.0201	0.02
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0076	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0226
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0202	0.0226
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.002	0.0057
Loa Loa (eye worm)	TK/ROR protein kinase	0.009	0.094	0.1057
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0076	1
Trypanosoma brucei	unspecified product	0.0019	0.002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0001
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.002	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0104	0.112	0.1259
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0201	0.0603
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0202	0.0201
Echinococcus granulosus	dna polymerase kappa	0.0019	0.002	0.0057
Schistosoma mansoni	tar DNA-binding protein	0.0275	0.3323	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0033	0.0201	0.02
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0201	0.0603
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0076	0.0085
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.002	0.2642
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0201	0.0225
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0033	0.0201	0.02
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0033	0.0201	0.02
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.002	0.0019
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0201	0.02
Schistosoma mansoni	tar DNA-binding protein	0.0275	0.3323	1
Trypanosoma cruzi	hypothetical protein, conserved	0.009	0.094	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0033	0.0201	0.0225
Schistosoma mansoni	retinoic acid receptor RXR	0.0033	0.0201	0.0603
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0076	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0033	0.0201	0.0603
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0202	0.0605
Schistosoma mansoni	tar DNA-binding protein	0.0275	0.3323	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0033	0.0201	0.0603
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.002	0.2642
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0017	0.0001	0.0001
Brugia malayi	nuclear receptor NHR-88	0.0033	0.0201	0.0225
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.009	0.094	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0226
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.002	0.5
Loa Loa (eye worm)	hypothetical protein	0.0692	0.8694	0.9775
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0695	0.0781
Giardia lamblia	DINP protein human, muc B family	0.0019	0.002	0.5
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0725	0.9118	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0076	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0201	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0001	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0033	0.0201	0.0225
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0033	0.0201	0.0226
Echinococcus granulosus	tar DNA binding protein	0.0275	0.3323	1
Schistosoma mansoni	coup transcription factor	0.0033	0.0201	0.0603
Echinococcus granulosus	dna polymerase eta	0.0019	0.002	0.0057
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0076	0.0084
Toxoplasma gondii	kringle domain-containing protein	0.009	0.094	0.5
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.002	0.2642
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0076	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0201	0.0603
Schistosoma mansoni	DNA polymerase eta	0.0019	0.002	0.0057
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0033	0.0201	0.0226
Echinococcus multilocularis	FTZ F1 alpha	0.0033	0.0201	0.02
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.002	0.2642
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.002	0.0057
Loa Loa (eye worm)	TAR-binding protein	0.0275	0.3323	0.3736
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0201	0.0603
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0201	0.0225
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0033	0.0201	0.02
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0076	0.0604
Echinococcus granulosus	FTZ F1 alpha	0.0033	0.0201	0.0603
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.002	0.0021
Echinococcus granulosus	tissue type plasminogen activator	0.009	0.094	0.2828
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Echinococcus multilocularis	tissue type plasminogen activator	0.009	0.094	0.0939
Brugia malayi	nuclear hormone receptor	0.0708	0.8894	1
Onchocerca volvulus		0.009	0.094	0.0956
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.0201	0.0603
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0275	0.3323	0.3736
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0104	0.112	0.1259
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0076	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0201	0.02
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0202	0.0605
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0076	1
Brugia malayi	TAR-binding protein	0.0275	0.3323	0.3735
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0033	0.0201	0.0603
Brugia malayi	Steroid receptor seven-up type 2	0.0033	0.0201	0.0225
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0033	0.0201	0.0226
Echinococcus granulosus	GPCR family 2	0.0033	0.0202	0.0605
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0202	0.0226
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.002	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0033	0.0201	0.0603
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0033	0.0201	0.0603
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0076	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0033	0.0201	0.0225
Loa Loa (eye worm)	hypothetical protein	0.009	0.094	0.1057
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0033	0.0201	0.0603
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0104	0.112	0.1259
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0076	0.0604
Loa Loa (eye worm)	steroid hormone receptor	0.0033	0.0201	0.0226
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0033	0.0201	0.0603
Onchocerca volvulus	Protein ultraspiracle homolog	0.0033	0.0201	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0201	0.0226
Brugia malayi	RNA binding protein	0.0275	0.3323	0.3735
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Onchocerca volvulus		0.0033	0.0201	0.0139
Echinococcus multilocularis	tar DNA binding protein	0.0275	0.3323	0.3322
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.002	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.002	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 5.2 uM	Inhibition on Streptococcus pneumoniae translation by uncoupled translation assay	ChEMBL.	16884296
LD50 (functional)	> 100 ug ml-1	Cytotoxicity against human B cells by Jijoye assay	ChEMBL.	16884296
LD50 (functional)	> 100 ug ml-1	Cytotoxicity against human B cells by Jijoye assay	ChEMBL.	16884296
MIC (functional)	= 1 ug ml-1	Antibacterial activity against quinolone-resistant Streptococcus pneumoniae ATCC 7257	ChEMBL.	16884296
MIC (functional)	= 2 ug ml-1	Antibacterial activity against quinolone-susceptible Haemophilus influenzae 1435	ChEMBL.	16884296
MIC (functional)	= 4 ug ml-1	Antibacterial activity against quinolone-susceptible Streptococcus pneumoniae ATCC 6303	ChEMBL.	16884296

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: CHEMBL213456
PubChem: 11844214

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 368597