TDR Targets

Basic information

Technical information

TDR Targets ID: 1644992
Name: N'-[(Z)-2-amino-1,2-dicyanoethenyl]methanimid amide
MW: 135.127 | Formula: C5H5N5
H donors: 2 H acceptors: 2 LogP: -0.93 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: N/C(=C(/C#N)\N=C\N)/C#N
InChi: 1S/C5H5N5/c6-1-4(9)5(2-7)10-3-8/h3H,9H2,(H2,8,10)/b5-4-
InChiKey: JOWVYROMILUUHH-PLNGDYQASA-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'-[(Z)-2-amino-1,2-dicyano-vinyl]formamidine
N'-[(Z)-2-amino-1,2-dicyanovinyl]formamidine
N'-[(Z)-2-amino-1,2-dicyano-ethenyl]methanimidamide

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1639	0.7361	0.7355
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.0365	0.0343
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1639	0.7361	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0417	0.1648	0.161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1317	0.5855	0.5845
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.2204	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0142	0.0365	0.0343
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0142	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0275	0.0984	0.0984
Trichomonas vaginalis	PIKK family atypical protein kinase	0.119	0.5262	0.5251
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1753	0.7893	0.7888
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0142	0.0365	0.032
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0142	0.0365	0.029
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0464	0.1871	0.2153
Mycobacterium leprae	conserved hypothetical protein	0.0142	0.0365	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1317	0.5855	0.5845
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1753	0.7893	0.7888
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0074	0.0046	0.0046
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0142	0.0365	0.0343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1317	0.5855	0.5845
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2204	1	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0142	0.0365	0.0343
Entamoeba histolytica	protein kinase rad3, putative	0.0417	0.1648	0.1332
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0142	0.0365	0.0343
Echinococcus multilocularis		0.0142	0.0365	0.032
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.2204	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1639	0.7361	0.7355
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0365	0.0365
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0142	0.0365	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0142	0.0365	0.0343
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0739	0.3154	0.3101
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1755	0.7901	0.7822
Schistosoma mansoni	hypothetical protein	0.0322	0.1206	0.1138
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0417	0.1648	0.1629
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.2204	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0142	0.0365	0.0343
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0142	0.0365	0.029
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0142	0.0365	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0142	0.0365	0.5
Plasmodium vivax	hypothetical protein	0.0142	0.0365	0.5
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0142	0.0365	0.5
Entamoeba histolytica	hypothetical protein	0.0417	0.1648	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0464	0.1871	0.1871
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0739	0.3154	0.2895
Brugia malayi	FAT domain containing protein	0.0322	0.1206	0.1166
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0142	0.0365	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0365	0.0365
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1753	0.7893	0.7888
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0142	0.0365	0.032
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0417	0.1648	0.1629
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0417	0.1648	0.1629
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0142	0.0365	0.029
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.2204	1	1
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0142	0.0365	0.029
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0915	0.3978	0.375
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0417	0.1648	0.1583
Loa Loa (eye worm)	hypothetical protein	0.0417	0.1648	0.1648
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0417	0.1648	0.161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1753	0.7893	0.7888
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0142	0.0365	0.032
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.2204	1	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0417	0.1648	0.161
Echinococcus multilocularis	Zinc finger, PHD finger	0.0142	0.0365	0.032
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1042	0.4571	0.4366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0739	0.3154	0.3139
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0739	0.3154	0.2895
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0142	0.0365	0.029
Loa Loa (eye worm)	phosphatidylinositol 3	0.0142	0.0365	0.0365
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0142	0.0365	0.0343
Loa Loa (eye worm)	phosphatidylinositol 3	0.2204	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.2204	1	1
Loa Loa (eye worm)	hypothetical protein	0.0449	0.1799	0.1799
Trichomonas vaginalis	conserved hypothetical protein	0.0322	0.1206	0.1186
Toxoplasma gondii	FATC domain-containing protein	0.0417	0.1648	0.1835
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.2204	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0142	0.0365	0.0365
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1753	0.7893	0.7888
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0142	0.0365	0.5
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0142	0.0365	0.032
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0142	0.0365	0.5
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1755	0.7901	0.7822
Trichomonas vaginalis	PIKK family atypical protein kinase	0.119	0.5262	0.5251
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1639	0.7361	0.7355
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1188	0.5253	0.5242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1639	0.7361	0.7355
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1431	0.6386	0.6378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2204	1	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.2204	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1478	0.6609	0.6601
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0739	0.3154	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.119	0.5262	0.5251
Echinococcus multilocularis	serine protein kinase ATM	0.0417	0.1648	0.161
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0142	0.0365	0.032
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0417	0.1648	0.1332
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0417	0.1648	0.1332
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0417	0.1648	0.1332
Loa Loa (eye worm)	phosphatidylinositol 3	0.0142	0.0365	0.0365
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0142	0.0365	0.0343
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.2204	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0591	0.2464	0.2446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.119	0.5262	0.5251
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0739	0.3154	0.2895
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0142	0.0365	0.0343
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1639	0.7361	0.7355
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0322	0.1206	0.1166
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0322	0.1206	0.1166
Echinococcus granulosus	serine protein kinase ATM	0.0417	0.1648	0.161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1639	0.7361	0.7355
Loa Loa (eye worm)	phosphatidylinositol 3	0.0739	0.3154	0.3154
Loa Loa (eye worm)	hypothetical protein	0.0322	0.1206	0.1206
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0142	0.0365	0.0343
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0142	0.0365	0.0343
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0142	0.0365	0.032
Trichomonas vaginalis	conserved hypothetical protein	0.0275	0.0984	0.0963
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0142	0.0365	0.032
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0142	0.0365	0.0343
Giardia lamblia	GTOR	0.2204	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0739	0.3154	0.3139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0739	0.3154	0.3139
Schistosoma mansoni	hypothetical protein	0.0142	0.0365	0.029
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1188	0.5253	0.5242
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1304	0.5794	0.5784
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0142	0.0365	0.5
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0142	0.0365	0.029
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1304	0.5794	0.5784
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0417	0.1648	0.161
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0142	0.0365	0.032
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0739	0.3154	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2204	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0464	0.1871	0.1852
Onchocerca volvulus		0.0142	0.0365	0.5
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0142	0.0365	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1639	0.7361	0.7355
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0142	0.0365	0.032
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0142	0.0365	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0739	0.3154	0.2895
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0275	0.0984	0.0963
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0739	0.3154	0.3123
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0417	0.1648	0.1583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0739	0.3154	0.3139
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0739	0.3154	0.3139
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.2204	1	1
Onchocerca volvulus		0.0142	0.0365	0.5
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0142	0.0365	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1882	0.8494	0.849
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0275	0.0984	0.0642
Loa Loa (eye worm)	phosphatidylinositol 3	0.0142	0.0365	0.0365
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0142	0.0365	0.032
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0142	0.0365	0.0343
Trypanosoma cruzi	target of rapamycin kinase 3	0.1755	0.7901	0.7822
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0142	0.0365	0.032
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.2204	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0739	0.3154	0.3123
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1188	0.5253	0.5242
Loa Loa (eye worm)	phosphatidylinositol 3	0.0142	0.0365	0.0365
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0142	0.0365	0.0365
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0739	0.3154	0.3123
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0142	0.0365	0.029
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0417	0.1648	0.1332

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.232	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 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 MDA-N Breast 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 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 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 HL-60(TB) Leukemia 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 DU-145 Prostate 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 MALME-3M 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: CHEMBL2000899

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 1644992