TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.436 | Formula: C22H22N4O2
H donors: 1 H acceptors: 4 LogP: 3.27 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)Cc1cn(c2c1ccc(n2)C)c1ccccc1Cn1cc(nc1C)C
InChi: 1S/C22H22N4O2/c1-14-8-9-19-18(10-21(27)28)13-26(22(19)24-14)20-7-5-4-6-17(20)12-25-11-15(2)23-16(25)3/h4-9,11,13H,10,12H2,1-3H3,(H,27,28)
InChiKey: SKWKAOIDTHUDLY-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
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0266	0.0342	0.3447
Echinococcus granulosus	solute carrier family 26	0.0005	0.0001	0.0006
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0761	0.0991	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0001	0.0008
Loa Loa (eye worm)	carbonic anhydrase 3	0.0761	0.0991	1
Echinococcus multilocularis	carbonic anhydrase	0.0266	0.0342	0.3447
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0032	0.0327
Echinococcus granulosus	cpg binding protein	0.0031	0.0035	0.0349
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0761	0.0991	0.2395
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0761	0.0991	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0266	0.0342	0.3447
Brugia malayi	ecdysteroid receptor	0.001	0.0007	0.0073
Echinococcus multilocularis	carbonic anhydrase	0.0266	0.0342	0.3447
Schistosoma mansoni	cpg binding protein	0.0031	0.0035	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0001	0.0008
Trichomonas vaginalis	conserved hypothetical protein	0.7632	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.0076	0.0184
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0007	0.0073
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0001	0.0002
Schistosoma mansoni	carbonic anhydrase	0.3163	0.414	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0007	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0007	0.0073
Chlamydia trachomatis	sulfate transporter	0.0204	0.0261	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.0035	0.0084
Schistosoma mansoni	survival motor neuron protein	0.005	0.0059	0.0142
Echinococcus multilocularis	cpg binding protein	0.0031	0.0035	0.0349
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0007	0.0073
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0007	0.0073
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0007	0.0017
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0001	0.0008
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0007	0.0073
Onchocerca volvulus		0.003	0.0032	0.0194
Schistosoma mansoni	carbonic anhydrase	0.0266	0.0342	0.0825
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0007	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0007	0.0073
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0007	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0001	0.0006
Echinococcus granulosus	carbonic anhydrase	0.0266	0.0342	0.3447
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0007	0.0073
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0007	0.0073
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0007	0.0073
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0007	0.0073
Plasmodium falciparum	carbonic anhydrase	0.0266	0.0342	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0007	0.0073
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0059	0.0593
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0007	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0266	0.0342	0.3447
Mycobacterium ulcerans	carbonic anhydrase	0.3163	0.414	0.3983
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0266	0.0342	0.3447
Echinococcus multilocularis	carbonic anhydrase	0.0266	0.0342	0.3447
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.609	0.7977	1
Trypanosoma brucei	carbonic anhydrase-like protein	0.0761	0.0991	1
Schistosoma mansoni	carbonic anhydrase-related	0.0266	0.0342	0.0825
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0073
Toxoplasma gondii	hypothetical protein	0.0266	0.0342	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0001	0.0006
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0007	0.0073
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0067	0.1951
Brugia malayi	hypothetical protein	0.0006	0.0001	0.0008
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0007	0.0017
Brugia malayi	hypothetical protein	0.0006	0.0001	0.0008
Echinococcus multilocularis	solute carrier family 26, (prestin)	0.0005	0.0001	0.0006
Onchocerca volvulus		0.005	0.0059	0.0352
Entamoeba histolytica	carbonic anhydrase, putative	0.3163	0.414	0.5
Leishmania major	carbonic anhydrase family protein, putative	0.3163	0.414	1
Trichomonas vaginalis	conserved hypothetical protein	0.7632	1	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0001	0.0008
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0761	0.0991	1
Brugia malayi	steroid hormone receptor	0.001	0.0007	0.0073
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.3019	0.3952	0.4954
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0007	0.0073
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0007	0.0073
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0007	0.0073
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0761	0.0991	0.2395
Brugia malayi	hypothetical protein	0.0244	0.0314	0.3163
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0001	0.0002
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0001	0.0008
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0007	0.0017
Schistosoma mansoni	sulfate transporter	0.0005	0.0001	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0007	0.0073
Onchocerca volvulus		0.001	0.0007	0.0043
Echinococcus granulosus	carbonic anhydrase	0.0266	0.0342	0.3447
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0007	0.0073
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0073
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0001	0.0008
Leishmania major	carbonic anhydrase-like protein	0.0761	0.0991	0.2394
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0761	0.0991	1
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0001	0.0008
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.162	0.2117	0.2654
Echinococcus granulosus	dnaJ subfamily B	0.0422	0.0547	0.5519
Schistosoma mansoni	coup transcription factor	0.001	0.0007	0.0017
Brugia malayi	nuclear receptor RXR	0.0006	0.0001	0.0008
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0007	0.0017
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0007	0.0017
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.1477	0.193	0.2418
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0007	0.0017
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0007	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0001	0.0008
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0007	0.0073
Echinococcus multilocularis	dnaJ subfamily B	0.0422	0.0547	0.5519
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0003	0.0032
Echinococcus multilocularis	survival motor neuron protein 1	0.0244	0.0314	0.3163
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0073
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0007	0.0073
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0007	0.0017
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0266	0.0342	0.3447
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0006	0.0056
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0003	0.0032
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0073
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0007	0.0017
Echinococcus granulosus	carbonic anhydrase	0.0266	0.0342	0.3447
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0007	0.0073
Loa Loa (eye worm)	sulfate permease	0.0005	0.0001	0.0006
Onchocerca volvulus		0.1278	0.167	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0007	0.0073
Brugia malayi	sulfate permease family protein	0.0005	0.0001	0.0006
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0007	0.0073
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0007	0.0073
Echinococcus multilocularis	carbonic anhydrase II	0.0761	0.0991	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0007	0.0073
Schistosoma mansoni	hypothetical protein	0.0422	0.0547	0.1322
Schistosoma mansoni	carbonic anhydrase-related	0.0266	0.0342	0.0825
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0007	0.0073
Schistosoma mansoni	hypothetical protein	0.005	0.0059	0.0142
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0007	0.0073
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0007	0.0073
Onchocerca volvulus	Putative sulfate transporter	0.1278	0.167	1
Echinococcus multilocularis	solute carrier family 26	0.0005	0.0001	0.0006
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0007	0.0043
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0007	0.0017
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0006	0.0056
Plasmodium vivax	sulfate transporter, putative	0.0204	0.0261	0.5
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0001	0.0006
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0003	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0073
Schistosoma mansoni	hypothetical protein	0.0266	0.0342	0.0825
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0001	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0001	0.0008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0073
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0073
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0007	0.0073
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0007	0.0073
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0007	0.0073
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0007	0.0073
Schistosoma mansoni	cpg binding protein	0.003	0.0032	0.0078
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0007	0.0073
Echinococcus granulosus	solute carrier family 26 prestin	0.0005	0.0001	0.0006
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0006	0.0056
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0204	0.0261	0.7621
Loa Loa (eye worm)	hypothetical protein	0.0266	0.0342	0.3447
Schistosoma mansoni	sulfate transporter	0.0005	0.0001	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0007	0.0073
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0266	0.0342	0.3447
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0007	0.0017
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0007	0.0073
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0761	0.0991	1
Echinococcus granulosus	survival motor neuron protein 1	0.0244	0.0314	0.3163
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0005	0.0055
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0007	0.0073
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.3163	0.414	1
Echinococcus granulosus	carbonic anhydrase II	0.0761	0.0991	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0007	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0244	0.0314	0.3163
Brugia malayi	CXXC zinc finger family protein	0.003	0.0032	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0266	0.0342	0.3447
Brugia malayi	nuclear receptor NHR-88	0.001	0.0007	0.0073
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0007	0.0073
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0003	0.0032
Schistosoma mansoni	carbonic anhydrase-related	0.0266	0.0342	0.0825
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0007	0.0073
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0007	0.0073
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0266	0.0342	0.3447
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0007	0.0073
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0007	0.0073
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0001	0.0008
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0003	0.0032
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0007	0.0043
Brugia malayi	nuclear hormone receptor	0.001	0.0007	0.0073

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: CHEMBL3338265

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 933962