TDR Targets

Basic information

Technical information

TDR Targets ID: 79130
Name: 2-propan-2-yl-6-(2H-tetrazol-5-yl)thioxanthen -9-one
MW: 322.384 | Formula: C17H14N4OS
H donors: 1 H acceptors: 4 LogP: 3.84 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC(c1ccc2c(c1)c(=O)c1c(s2)cc(cc1)c1n[nH]nn1)C
InChi: 1S/C17H14N4OS/c1-9(2)10-4-6-14-13(7-10)16(22)12-5-3-11(8-15(12)23-14)17-18-20-21-19-17/h3-9H,1-2H3,(H,18,19,20,21)
InChiKey: SNJGCCPGCJRCQS-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

2-isopropyl-6-(2H-tetrazol-5-yl)thioxanthen-9-one
2-isopropyl-6-(2H-tetrazol-5-yl)-9-thioxanthenone
2-propan-2-yl-6-(2H-1,2,3,4-tetrazol-5-yl)thioxanthen-9-one

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	Protein kinase domain containing protein	0.0071	0.0151	0.0049
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0071	0.0151	0.0151
Schistosoma mansoni	tyrosinase precursor	0.0109	0.0564	0.0564
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0523	0.5056	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0071	0.0151	0.0049
Echinococcus multilocularis	jun protein	0.0085	0.0301	0.0301
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Onchocerca volvulus		0.0067	0.0103	0.0374
Echinococcus multilocularis	expressed protein	0.042	0.3943	0.3943
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0564	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0173	0.126	0.126
Onchocerca volvulus		0.0109	0.0564	0.205
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0276	0.0276
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0206	0.1618	0.1618
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0071	0.0151	0.0151
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0071	0.0151	0.0151
Schistosoma mansoni	serine/threonine protein kinase	0.0302	0.2657	0.2657
Loa Loa (eye worm)	amidase	0.0118	0.0659	0.0659
Echinococcus granulosus	expressed protein	0.042	0.3943	0.3943
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0523	0.5056	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0118	0.0659	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0071	0.0151	0.0151
Trichomonas vaginalis	conserved hypothetical protein	0.0523	0.5056	1
Brugia malayi	protein kinase C II.	0.0206	0.1618	0.1531
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0182	0.1352	0.1352
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0071	0.0151	0.0151
Brugia malayi	bZIP transcription factor family protein	0.0085	0.0301	0.0201
Mycobacterium ulcerans	hypothetical protein	0.0523	0.5056	1
Schistosoma mansoni	jun-related protein	0.0069	0.0128	0.0128
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.0151	0.0151
Brugia malayi	Common central domain of tyrosinase family protein	0.0109	0.0564	0.0466
Trypanosoma cruzi	monoglyceride lipase, putative	0.0523	0.5056	1
Brugia malayi	Amidase family protein	0.0118	0.0659	0.0561
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0085	0.0301	0.0301
Onchocerca volvulus		0.0109	0.0564	0.205
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0071	0.0151	0.0151
Loa Loa (eye worm)	ShTK domain-containing protein	0.0109	0.0564	0.0564
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0523	0.5056	1
Plasmodium falciparum	lysophospholipase, putative	0.0523	0.5056	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0149	0.0996	0.0996
Loa Loa (eye worm)	hypothetical protein	0.0311	0.2754	0.2754
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0118	0.0659	0.0659
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.0151	0.0151
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0523	0.5056	1
Brugia malayi	putative amidase	0.0118	0.0659	0.0561
Echinococcus granulosus	RNA directed DNA polymerase	0.0173	0.126	0.126
Schistosoma mansoni	serine/threonine kinase	0.0071	0.0151	0.0151
Echinococcus multilocularis	protein kinase c iota type	0.0122	0.0699	0.0699
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0109	0.0564	0.0466
Plasmodium falciparum	esterase, putative	0.0523	0.5056	1
Echinococcus granulosus	protein kinase C gamma type	0.0251	0.211	0.211
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Echinococcus granulosus	serine:threonine protein kinase N2	0.0071	0.0151	0.0151
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Echinococcus granulosus	Protein kinase C brain isozyme	0.0302	0.2657	0.2657
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0071	0.0151	0.0151
Leishmania major	monoglyceride lipase, putative	0.0523	0.5056	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0118	0.0659	0.0659
Loa Loa (eye worm)	hypothetical protein	0.0311	0.2754	0.2754
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0118	0.0659	0.5
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0523	0.5056	1
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0109	0.0564	0.0466
Loa Loa (eye worm)	amidase	0.0118	0.0659	0.0659
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0071	0.0151	0.0151
Schistosoma mansoni	fatty-acid amide hydrolase	0.0978	1	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0071	0.0151	0.0151
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0173	0.126	0.126
Trichomonas vaginalis	conserved hypothetical protein	0.0523	0.5056	1
Echinococcus granulosus	NDR protein kinase	0.0071	0.0151	0.0151
Loa Loa (eye worm)	tyrosinase 1	0.0109	0.0564	0.0564
Mycobacterium tuberculosis	Possible lysophospholipase	0.0523	0.5056	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0085	0.0301	0.0301
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0071	0.0151	0.0151
Brugia malayi	Protein kinase domain containing protein	0.0071	0.0151	0.0049
Echinococcus granulosus	protein kinase c iota type	0.0122	0.0699	0.0699
Schistosoma mansoni	serine/threonine protein kinase	0.0206	0.1618	0.1618
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0523	0.5056	1
Brugia malayi	Hr1 repeat family protein	0.0071	0.0151	0.0049
Plasmodium vivax	PST-A protein	0.0523	0.5056	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0071	0.0151	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0585	0.5734	0.5734
Mycobacterium ulcerans	lysophospholipase	0.0523	0.5056	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0978	1	1
Loa Loa (eye worm)	hypothetical protein	0.0224	0.1808	0.1808
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.0151	0.0151
Echinococcus granulosus	jun protein	0.0085	0.0301	0.0301
Onchocerca volvulus		0.0109	0.0564	0.205
Echinococcus granulosus	protein kinase c epsilon type	0.0206	0.1618	0.1618
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0118	0.0659	0.0659
Brugia malayi	Amidase family protein	0.0118	0.0659	0.0561
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0978	1	1
Loa Loa (eye worm)	hypothetical protein	0.0382	0.3528	0.3528
Brugia malayi	Protein kinase c protein 2	0.0232	0.19	0.1815
Schistosoma mansoni	atypical protein kinase C	0.0122	0.0699	0.0699
Plasmodium falciparum	lysophospholipase, putative	0.0523	0.5056	1
Trichomonas vaginalis	AGC family protein kinase	0.0071	0.0151	0.0034
Echinococcus multilocularis	serine threonine protein kinase	0.0251	0.211	0.211
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0523	0.5056	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0109	0.0564	0.0564
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0109	0.0564	0.0466
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0071	0.0151	0.0151
Echinococcus granulosus	serine:threonine protein kinase N2	0.0079	0.0238	0.0238
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0118	0.0659	0.1034
Schistosoma mansoni	amidase	0.0978	1	1
Schistosoma mansoni	tyrosinase precursor	0.0109	0.0564	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0564	0.0564
Schistosoma mansoni	fatty-acid amide hydrolase	0.0118	0.0659	0.0659
Onchocerca volvulus		0.0311	0.2754	1
Schistosoma mansoni	serine/threonine protein kinase	0.0302	0.2657	0.2657
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0118	0.0659	0.0659
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0071	0.0151	0.0151
Brugia malayi	small heat shock protein	0.0585	0.5734	0.5689
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0978	1	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0118	0.0659	0.0659
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0978	1	1
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0071	0.0151	0.0151
Echinococcus multilocularis	protein kinase c epsilon type	0.0206	0.1618	0.1618
Schistosoma mansoni	hypothetical protein	0.0069	0.0128	0.0128
Onchocerca volvulus		0.0109	0.0564	0.205
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0118	0.0659	0.5
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0523	0.5056	1
Schistosoma mansoni	serine/threonine protein kinase	0.0071	0.0151	0.0151
Brugia malayi	Protein kinase domain containing protein	0.0071	0.0151	0.0049
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0071	0.0151	0.0151
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0302	0.2657	0.2657
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0079	0.0238	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0311	0.2754	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0361	0.3301	0.3301
Brugia malayi	ShTK domain containing protein	0.0109	0.0564	0.0466
Trypanosoma brucei	monoglyceride lipase, putative	0.0523	0.5056	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0173	0.126	0.126
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0109	0.0564	0.0466
Plasmodium falciparum	lysophospholipase, putative	0.0523	0.5056	1
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0523	0.5056	1
Loa Loa (eye worm)	hypothetical protein	0.0978	1	1
Toxoplasma gondii	AGC kinase	0.0071	0.0151	0.5
Trypanosoma brucei	monoglyceride lipase, putative	0.0523	0.5056	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 5 %	Inhibitory activity against rat brain mitochondrial Monoamine oxidase B at 1 uM	ChEMBL.	8627609
Inhibition (binding)	= 5 %	Inhibitory activity against rat brain mitochondrial Monoamine oxidase B at 1 uM	ChEMBL.	8627609
Inhibition (binding)	= 24 %	Inhibitory concentration of the compound against rat brain mitochondrial Monoamine oxidase A at 1 uM	ChEMBL.	8627609
Inhibition (binding)	= 24 %	Inhibitory concentration of the compound against rat brain mitochondrial Monoamine oxidase A at 1 uM	ChEMBL.	8627609

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: CHEMBL52294
PubChem: 20232337

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 79130