TDR Targets

Basic information

Technical information

TDR Targets ID: 1616361
Name: N-[1-(1,3-thiazol-2-yl)ethylideneamino]-3-aza bicyclo[3.2.2]nonane-3-carbothioamide
MW: 308.465 | Formula: C14H20N4S2
H donors: 1 H acceptors: 1 LogP: 2.86 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: S=C(N1CC2CCC(C1)CC2)N/N=C(/c1nccs1)\C
InChi: 1S/C14H20N4S2/c1-10(13-15-6-7-20-13)16-17-14(19)18-8-11-2-3-12(9-18)5-4-11/h6-7,11-12H,2-5,8-9H2,1H3,(H,17,19)/b16-10+
InChiKey: OHHANFDQXBLKIW-MHWRWJLKSA-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

N-(1-thiazol-2-ylethylideneamino)-3-azabicyclo[3.2.2]nonane-3-carbothioamide
N-[1-(2-thiazolyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-thiazolyl)ethylidene]hydrazide
Neuro_000191
N'-[(E)-1-(1,3-Thiazol-2-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide
NCI60_003189
3-Azabicyclo[3.2.2]nonone-3-thiocarboxylic acid, 2-[1-[2-teiazolyl]-

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	RNA, U transporter 1	0.0099	0.2061	0.6054
Echinococcus multilocularis	peregrin	0.0035	0.0203	0.0164
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1405	0.1371
Brugia malayi	Hexokinase family protein	0.006	0.0935	0.2673
Schistosoma mansoni	hypothetical protein	0.0043	0.0443	0.0256
Entamoeba histolytica	hypothetical protein	0.0043	0.0443	0.2239
Loa Loa (eye worm)	hexokinase type II	0.0096	0.1978	0.1942
Loa Loa (eye worm)	hexokinase	0.0096	0.1978	0.1942
Echinococcus granulosus	geminin	0.0205	0.5135	0.5116
Brugia malayi	TAR-binding protein	0.0076	0.1405	0.4085
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1405	0.1367
Entamoeba histolytica	hypothetical protein	0.0043	0.0443	0.2239
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1405	0.1237
Leishmania major	hypothetical protein, conserved	0.0257	0.6657	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.2535	0.2505
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0064	0.0096
Echinococcus granulosus	peregrin	0.0035	0.0203	0.0164
Plasmodium vivax	hexokinase, putative	0.0096	0.1978	1
Leishmania major	hypothetical protein, conserved	0.003	0.0064	0.0096
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0443	0.0256
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0786	0.0606
Brugia malayi	MH2 domain containing protein	0.0144	0.3375	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0786	0.0745
Echinococcus multilocularis	hexokinase	0.0096	0.1978	0.1947
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.1294	0.1255
Echinococcus granulosus	hexokinase	0.0096	0.1978	0.1947
Toxoplasma gondii	hexokinase	0.0096	0.1978	1
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.1845	0.1686
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0024
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1405	0.1237
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1405	0.1367
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0039	0.0059
Leishmania major	hexokinase, putative	0.0096	0.1978	0.2972
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0192	0.0666
Schistosoma mansoni	hypothetical protein	0.0205	0.5135	0.504
Echinococcus multilocularis	hexokinase	0.0096	0.1978	0.1947
Loa Loa (eye worm)	hypothetical protein	0.006	0.0935	0.0895
Brugia malayi	Bromodomain containing protein	0.0035	0.0203	0.0476
Trypanosoma cruzi	hexokinase, putative	0.0096	0.1978	0.2972
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0786	0.075
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0203	0.0725
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0604	0.0567
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0419	0.0231
Entamoeba histolytica	hypothetical protein	0.0043	0.0443	0.2239
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.3375	0.3346
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.6657	1
Echinococcus multilocularis	hexokinase	0.0096	0.1978	0.1947
Echinococcus granulosus	hexokinase	0.0096	0.1978	0.1947
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0192	0.0193
Brugia malayi	hypothetical protein	0.0043	0.0443	0.1196
Brugia malayi	hypothetical protein	0.003	0.0064	0.0059
Onchocerca volvulus		0.0096	0.1978	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1405	0.1367
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1405	0.4085
Brugia malayi	jmjC domain containing protein	0.0043	0.0419	0.1123
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0192	0.0153
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0604	0.0567
Plasmodium falciparum	importin beta, putative	0.0035	0.0192	0.0666
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0203	0.0725
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.003	0.0039	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0.0443	0.2239
Onchocerca volvulus	Hexokinase homolog	0.006	0.0935	0.4122
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0203	0.0725
Brugia malayi	Importin beta-1 subunit	0.0035	0.0192	0.0442
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0443	0.0405
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0192	0.0153
Echinococcus granulosus	hexokinase type 2	0.0096	0.1978	0.1947
Brugia malayi	Hexokinase family protein	0.0096	0.1978	0.5806
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.3375	0.3346
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0192	0.0193
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0786	0.075
Entamoeba histolytica	hexokinase 1	0.0096	0.1978	1
Onchocerca volvulus		0.0096	0.1978	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1405	0.1237
Brugia malayi	RNA binding protein	0.0076	0.1405	0.4085
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0786	0.0606
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0419	0.0381
Schistosoma mansoni	hypothetical protein	0.0205	0.5135	0.504
Brugia malayi	jmjC domain containing protein	0.0115	0.2535	0.7477
Trypanosoma brucei	hexokinase, putative	0.0096	0.1978	0.2903
Treponema pallidum	hexokinase (hxk)	0.0096	0.1978	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0786	0.075
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.003	0.0039	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0257	0.6657	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0786	0.075
Giardia lamblia	PHD finger protein 15	0.0035	0.0203	0.5
Brugia malayi	PHD-finger family protein	0.0035	0.0203	0.0476
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1405	0.1371
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0419	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0203	0.0159
Echinococcus multilocularis	geminin	0.0205	0.5135	0.5116
Onchocerca volvulus		0.0096	0.1978	1
Echinococcus granulosus	hexokinase	0.0096	0.1978	0.1947
Echinococcus multilocularis	hexokinase type 2	0.0096	0.1978	0.1947
Trypanosoma brucei	hexokinase	0.0096	0.1978	0.2903
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.2535	0.2505
Mycobacterium tuberculosis	Conserved protein	0.003	0.0039	0.5
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.003	0.0039	0.5
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0039	0.0059
Mycobacterium ulcerans	hypothetical protein	0.003	0.0039	0.5
Brugia malayi	hexokinase	0.0096	0.1978	0.5806
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0419	0.0381
Onchocerca volvulus		0.006	0.0935	0.4122
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0419	0.0376
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1405	0.1237
Mycobacterium ulcerans	hypothetical protein	0.003	0.0039	0.5
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0203	0.0011
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0203	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1088	0.1048
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0786	0.2227
Loa Loa (eye worm)	hexokinase	0.006	0.0935	0.0894
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.003	0.0039	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0064	0.002
Loa Loa (eye worm)	hexokinase	0.0096	0.1978	0.1942
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0203	0.0164
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0786	0.0606
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0443	0.0405
Trypanosoma brucei	hexokinase	0.0096	0.1978	0.2903
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0192	0.0666
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0203	0.0725
Brugia malayi	hexokinase type II	0.0031	0.0068	0.0072
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0064	0.0096
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1405	0.1237
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0203	0.0159
Plasmodium falciparum	hexokinase	0.0096	0.1978	1
Entamoeba histolytica	hexokinase 2	0.0096	0.1978	1
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0039	0.0059
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.6657	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0192	0.0148
Schistosoma mansoni	hexokinase	0.0096	0.1978	0.1821
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.003	0.0039	0.5
Leishmania major	hexokinase, putative	0.0096	0.1978	0.2972
Trypanosoma cruzi	hexokinase, putative	0.0096	0.1978	0.2972
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0068	0.0024
Schistosoma mansoni	hypothetical protein	0.0035	0.0203	0.0011

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-8	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-8	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the P388 Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.891	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.593	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.523	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.513	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.363	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.362	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.19	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.069	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-6.047	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1970882

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 1616361