TDR Targets

Basic information

Technical information

TDR Targets ID: 1609213
Name: methyl 2-cyano-2-[1-(3-morpholin-4-ylpropyl)- 2H-tetrazol-5-ylidene]acetate
MW: 294.31 | Formula: C12H18N6O3
H donors: 1 H acceptors: 2 LogP: 1.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)/C(=c/1\[nH]nnn1CCCN1CCOCC1)/C#N
InChi: 1S/C12H18N6O3/c1-20-12(19)10(9-13)11-14-15-16-18(11)4-2-3-17-5-7-21-8-6-17/h2-8H2,1H3,(H,14,16)/b11-10+
InChiKey: IDIPUMHPIBAEKR-ZHACJKMWSA-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

methyl (2Z)-2-cyano-2-[1-(3-morpholin-4-ylpropyl)-2H-tetrazol-5-ylidene]acetate
methyl 2-cyano-2-[1-(3-morpholinopropyl)-2H-tetrazol-5-ylidene]acetate
methyl (2Z)-2-cyano-2-[1-(3-morpholinopropyl)-2H-tetrazol-5-ylidene]acetate
2-cyano-2-[1-(3-morpholinopropyl)-2H-tetrazol-5-ylidene]acetic acid methyl ester
(2Z)-2-cyano-2-[1-(3-morpholinopropyl)-2H-tetrazol-5-ylidene]acetic acid methyl ester
methyl 2-cyano-2-[1-(3-morpholin-4-ylpropyl)-2H-1,2,3,4-tetrazol-5-ylidene]ethanoate
methyl (2Z)-2-cyano-2-[1-(3-morpholin-4-ylpropyl)-2H-1,2,3,4-tetrazol-5-ylidene]ethanoate
AIDS-132261
AIDS132261
Methyl cyano(1-(3-(4-morpholinyl)propyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate
NSC625767
NCI60_008066

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
Schistosoma mansoni	zinc finger protein	0.0114	0.1236	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0201	0.4943	0.4943
Loa Loa (eye worm)	brahma associated protein	0.032	1	1
Schistosoma mansoni	hypothetical protein	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.219	0.219
Echinococcus multilocularis	SWI:SNF matrix associated	0.032	1	1
Schistosoma mansoni	TRABID protein (C64 family)	0.0114	0.1236	0.1236
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0114	0.1236	0.1236
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0114	0.1236	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.4388	0.4388
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.032	1	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.032	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0253	0.7141	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.032	1	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0105	0.0859	0.1204
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.032	1	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0114	0.1236	0.1731
Echinococcus multilocularis	zinc finger protein Ran binding	0.0114	0.1236	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1236	0.1236
Leishmania major	hypothetical protein, conserved	0.0114	0.1236	0.1731
Trypanosoma cruzi	hypothetical protein, conserved	0.0114	0.1236	0.1731
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0253	0.7141	0.7141
Schistosoma mansoni	fusion	0.0114	0.1236	0.1236
Loa Loa (eye worm)	phosphatidylinositol 3	0.0253	0.7141	0.7141
Echinococcus granulosus	Zinc finger RanBP2 type	0.0114	0.1236	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2817	0.2817
Schistosoma mansoni	hypothetical protein	0.032	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0114	0.1236	0.1236
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0114	0.1236	0.1731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.4388	0.4388
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0114	0.1236	0.1731
Trypanosoma cruzi	target of rapamycin kinase 3	0.0201	0.4951	0.6934
Leishmania major	hypothetical protein, conserved	0.0114	0.1236	0.1731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.2198	0.2198
Trypanosoma cruzi	hypothetical protein, conserved	0.0114	0.1236	0.1731
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0253	0.7141	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0253	0.7141	1
Leishmania major	hypothetical protein, conserved	0.0114	0.1236	0.1731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.2198	0.2198
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0201	0.4943	0.4943
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0253	0.7141	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.4388	0.4388
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0253	0.7141	0.7141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.2198	0.2198
Echinococcus multilocularis	ring and YY1 binding protein	0.0114	0.1236	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0253	0.7141	0.7141
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0201	0.4951	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.219	0.219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0253	0.7141	0.7141
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0114	0.1236	0.1731
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0253	0.7141	0.5
Schistosoma mansoni	hypothetical protein	0.0114	0.1236	0.1236
Echinococcus granulosus	SWI:SNF matrix associated	0.032	1	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0114	0.1236	0.1236
Trypanosoma cruzi	WLM domain containing protein, putative	0.0114	0.1236	0.1731
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0114	0.1236	0.1236
Echinococcus granulosus	ring and YY1 binding protein	0.0114	0.1236	0.1236
Leishmania major	hypothetical protein, conserved	0.0114	0.1236	0.1731
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0114	0.1236	0.1236
Schistosoma mansoni	brg-1 associated factor	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0201	0.4943	0.4943
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.4388	0.4388
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0188	0.4388	0.3596
Trypanosoma cruzi	hypothetical protein, conserved	0.0114	0.1236	0.1731
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.012	0.1478	0.207
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1236	0.1236
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0216	0.557	0.557
Trichomonas vaginalis	conserved hypothetical protein	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0164	0.3372	0.3372
Giardia lamblia	GTOR	0.0253	0.7141	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0114	0.1236	0.1731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.4388	0.4388
Schistosoma mansoni	RNA binding protein	0.0114	0.1236	0.1236
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0253	0.7141	0.7141
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0253	0.7141	1
Trypanosoma brucei	hypothetical protein, conserved	0.0114	0.1236	0.1731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2817	0.2817
Echinococcus granulosus	zinc finger protein Ran binding	0.0114	0.1236	0.1236
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0253	0.7141	1
Brugia malayi	YY1-associated factor 2	0.0114	0.1236	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.2753	0.2753
Chlamydia trachomatis	SWIB complex protein	0.032	1	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1236	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1236	0.1236
Echinococcus multilocularis	SWI:SNF matrix associated	0.032	1	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.032	1	1
Schistosoma mansoni	hypothetical protein	0.032	1	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.032	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.2817	0.2817
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0253	0.7141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1236	0.1236
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0114	0.1236	0.1731
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0114	0.1236	0.1731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0253	0.7141	0.7141
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0149	0.2753	0.2753
Brugia malayi	brahma associated protein 60 kDa	0.032	1	1
Plasmodium vivax	hypothetical protein, conserved	0.032	1	0.5
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0201	0.4951	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.2198	0.2198
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.4388	0.4388
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0114	0.1236	0.1731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0201	0.4943	0.4943
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0253	0.7141	0.7141
Onchocerca volvulus		0.032	1	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0114	0.1236	0.1731
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0114	0.1236	0.1236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.017	0.3604	0.3604
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.032	1	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.032	1	1
Chlamydia trachomatis	DNA topoisomerase I	0.032	1	0.5
Leishmania major	hypothetical protein, conserved	0.0114	0.1236	0.1731
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0136	0.219	0.219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.4388	0.4388
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0201	0.4943	0.4943

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	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)	-4	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)	-4	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)	-4	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)	-4	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)	-4	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)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma 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: CHEMBL1991250

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 1609213