TDR Targets

Basic information

Technical information

TDR Targets ID: 1626783
Name: 1,2,4-trimethyl-6-nitrocyclopenta[d]pyridazin e
MW: 205.213 | Formula: C10H11N3O2
H donors: 0 H acceptors: 3 LogP: 1.85 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1n(C)nc(c2c1cc(c2)[N+](=O)[O-])C
InChi: 1S/C10H11N3O2/c1-6-9-4-8(13(14)15)5-10(9)7(2)12(3)11-6/h4-5H,1-3H3
InChiKey: AWZXFVMIUDFKMX-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

1,2,4-trimethyl-6-nitro-cyclopenta[d]pyridazine
AK-029/34863018
ZINC00481535

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	death-associated protein kinase 3	Starlite/ChEMBL	No references
Homo sapiens	G protein-coupled receptor kinase 5	Starlite/ChEMBL	No references
Homo sapiens	LIM domain kinase 1	Starlite/ChEMBL	No references
Homo sapiens	checkpoint kinase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	Get druggable targets OG5_130334	All targets in OG5_130334
Schistosoma mansoni	protein kinase	Get druggable targets OG5_131191	All targets in OG5_131191
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130334	All targets in OG5_130334
Echinococcus multilocularis	dual specificity testis specific protein kinase	Get druggable targets OG5_131191	All targets in OG5_131191
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	Get druggable targets OG5_130334	All targets in OG5_130334
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Echinococcus multilocularis	death associated protein kinase 1	Get druggable targets OG5_144770	All targets in OG5_144770
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	Get druggable targets OG5_130334	All targets in OG5_130334
Echinococcus granulosus	dual specificity testis-specific protein kinase	Get druggable targets OG5_131191	All targets in OG5_131191
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	Get druggable targets OG5_130334	All targets in OG5_130334
Schistosoma japonicum	G protein-coupled receptor kinase 1, putative	Get druggable targets OG5_130334	All targets in OG5_130334
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	Get druggable targets OG5_130454	All targets in OG5_130454
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	Get druggable targets OG5_130334	All targets in OG5_130334
Schistosoma japonicum	ko:K05743 LIM domain kinase 1, putative	Get druggable targets OG5_131191	All targets in OG5_131191
Schistosoma japonicum	ko:K08291 G protein-coupled receptor kinase [EC2.7.11.16], putative	Get druggable targets OG5_130334	All targets in OG5_130334
Schistosoma japonicum	Serine/threonine-protein kinase Chk1, putative	Get druggable targets OG5_130454	All targets in OG5_130454
Schistosoma mansoni	protein kinase	Get druggable targets OG5_131191	All targets in OG5_131191
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_130454	All targets in OG5_130454
Echinococcus multilocularis	G protein coupled receptor kinase 6	Get druggable targets OG5_130334	All targets in OG5_130334
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	Get druggable targets OG5_130334	All targets in OG5_130334

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
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0404	0.1301	0.1145
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0703	0.287	0.2673
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.2063	1	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.0207	0.0269	0.0094
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0255	0.052	0.0258
Giardia lamblia	GTOR	0.2063	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0176	0.0105	0.0105
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0325	0.0886	0.0635
Trichomonas vaginalis	PIKK family atypical protein kinase	0.112	0.5056	0.492
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0703	0.287	0.2673
Loa Loa (eye worm)	phosphatidylinositol 3	0.0703	0.287	0.287
Loa Loa (eye worm)	hypothetical protein	0.0203	0.0248	0.0248
Loa Loa (eye worm)	hypothetical protein	0.0404	0.1301	0.1301
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2063	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1122	0.5065	0.4929
Toxoplasma gondii	FATC domain-containing protein	0.0404	0.1301	0.1479
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1644	0.7805	0.7744
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1216	0.5562	0.5482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0703	0.287	0.2673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0566	0.2151	0.1934
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0508	0.1846	0.1846
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0709	0.2899	0.2702
Schistosoma mansoni	protein kinase	0.0189	0.0177	0.0177
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1538	0.7251	0.7175
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0505	0.1833	0.1687
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0404	0.1301	0.1301
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0207	0.0269	0.0094
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0591	0.2281	0.2068
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0325	0.0886	0.0886
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0325	0.0886	0.0635
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0404	0.1301	0.1209
Trypanosoma cruzi	target of rapamycin kinase 3	0.1646	0.7814	0.7791
Loa Loa (eye worm)	hypothetical protein	0.0417	0.1369	0.1369
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1538	0.7251	0.7175
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1389	0.6468	0.6371
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0505	0.1833	0.1833
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1538	0.7251	0.7175
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0299	0.0751	0.0585
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0325	0.0886	0.079
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2063	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.2063	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0703	0.287	0.2673
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.2063	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0448	0.1533	0.1299
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0404	0.1301	0.1061
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0703	0.287	0.287
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.2063	1	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1646	0.7814	0.7753
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0703	0.287	0.2673
Echinococcus multilocularis	serine protein kinase ATM	0.0404	0.1301	0.1145
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0404	0.1301	0.1301
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0703	0.287	0.2794
Entamoeba histolytica	hypothetical protein	0.0404	0.1301	0.1061
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0207	0.0269	0.0269
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.2063	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0207	0.0269	0.0166
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1538	0.7251	0.7175
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0448	0.1533	0.1811
Trichomonas vaginalis	PIKK family atypical protein kinase	0.112	0.5056	0.492
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0207	0.0269	0.0166
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1538	0.7251	0.7175
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1239	0.5682	0.5563
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1122	0.5065	0.4929
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1538	0.7251	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0207	0.0269	0.0269
Echinococcus multilocularis	death associated protein kinase 1	0.0981	0.4326	0.4224
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0325	0.0886	0.0635
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0404	0.1301	0.1145
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0984	0.4346	0.4189
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.2063	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0703	0.287	0.2673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1644	0.7805	0.7744
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0703	0.287	0.2742
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0867	0.3728	0.3555
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0528	0.1952	0.1729
Loa Loa (eye worm)	phosphatidylinositol 3	0.1099	0.4944	0.4944
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0709	0.2899	0.2899
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1239	0.5682	0.5563
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0709	0.2899	0.2823
Schistosoma mansoni	hypothetical protein	0.0299	0.0751	0.0751
Entamoeba histolytica	hypothetical protein	0.0591	0.2281	0.2068
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2063	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0255	0.052	0.0419
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0325	0.0886	0.0635
Loa Loa (eye worm)	hypothetical protein	0.0299	0.0751	0.0751
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0703	0.287	0.2673
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.2063	1	1
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0203	0.0248	0.0248
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.041	0.1334	0.0799
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1239	0.5682	0.5563
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0404	0.1301	0.1061
Entamoeba histolytica	protein kinase rad3, putative	0.0404	0.1301	0.1061
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1646	0.7814	0.7753
Loa Loa (eye worm)	hypothetical protein	0.0255	0.052	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1227	0.5619	0.5498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1122	0.5065	0.4929
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0325	0.0886	0.0635
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0404	0.1301	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0505	0.1833	0.1833
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1216	0.5562	0.5562
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0404	0.1301	0.1061
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0207	0.0269	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1538	0.7251	0.7175
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0388	0.1216	0.0973
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.2063	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0528	0.1952	0.1729
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0505	0.1833	0.1687
Brugia malayi	FAT domain containing protein	0.0299	0.0751	0.0751
Echinococcus granulosus	serine protein kinase ATM	0.0404	0.1301	0.1145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1644	0.7805	0.7744
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0709	0.2899	0.2702
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0559	0.2117	0.1899
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1122	0.5065	0.4929
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1644	0.7805	0.7744
Schistosoma mansoni	protein kinase	0.0189	0.0177	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0255	0.052	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1533	0.1533
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0703	0.287	0.2673
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0703	0.287	0.287
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1216	0.5562	0.5482
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0404	0.1301	0.1301
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1538	0.7251	0.7175
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0207	0.0269	0.0269
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.2063	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0299	0.0751	0.0496
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0207	0.0269	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.112	0.5056	0.492
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1644	0.7805	0.7744
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0404	0.1301	0.1061
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0325	0.0886	0.0886
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0207	0.0269	0.0094
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.2063	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0709	0.2899	0.2823
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0207	0.0269	0.0269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1763	0.8431	0.8388
Schistosoma mansoni	serine/threonine protein kinase	0.0203	0.0248	0.0248
Loa Loa (eye worm)	phosphatidylinositol 3	0.2063	1	1
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0207	0.0269	0.0094
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0299	0.0751	0.0585
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0709	0.2899	0.2702
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.2063	1	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0703	0.287	0.2794
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0703	0.287	0.2673
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0404	0.1301	0.1209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1345	0.6236	0.6132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0404	0.1301	0.1061
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0709	0.2899	0.2702
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0325	0.0886	0.0635
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0703	0.287	0.2742
Brugia malayi	Protein kinase domain containing protein	0.0203	0.0248	0.0248
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1227	0.5619	0.5498

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (functional)	= 5.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GPRK5	ChEMBL.	No reference
Ki (functional)	= 5.4	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3	ChEMBL.	No reference
Ki (functional)	= 5.7	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LIMK1	ChEMBL.	No reference
Ki (functional)	= 5.8	PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK1	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: CHEMBL1999632

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 1626783