TDR Targets

Basic information

Technical information

TDR Targets ID: 1257255
Name: N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroi ndazol-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamid e
MW: 366.457 | Formula: C21H26N4O2
H donors: 1 H acceptors: 3 LogP: 2.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC1CCCc2c1cnn2c1cc(C)cc(c1)C)CN1CCCC1=O
InChi: 1S/C21H26N4O2/c1-14-9-15(2)11-16(10-14)25-19-6-3-5-18(17(19)12-22-25)23-20(26)13-24-8-4-7-21(24)27/h9-12,18H,3-8,13H2,1-2H3,(H,23,26)
InChiKey: AJGYGMMEYDRXPD-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

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxo-1-pyrrolidinyl)acetamide
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-ketopyrrolidin-1-yl)acetamide
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-oxopyrrolidin-1-yl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917

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	cyclin B3 1	0.0092	0.0785	0.2765
Schistosoma mansoni	serine/threonine protein kinase	0.0129	0.1387	0.1387
Echinococcus multilocularis	cyclins	0.0092	0.0785	0.2765
Echinococcus multilocularis	cyclins	0.0092	0.0785	0.2765
Echinococcus granulosus	cyclins	0.0092	0.0785	0.2765
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.0786	0.0786
Echinococcus granulosus	cyclins	0.0092	0.0785	0.2765
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0129	0.1387	0.1387
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0129	0.1387	0.4881
Trichomonas vaginalis	cyclins, putative	0.022	0.2841	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0129	0.1387	0.4881
Echinococcus multilocularis	cyclins	0.0092	0.0785	0.2765
Brugia malayi	Cyclin, N-terminal domain containing protein	0.022	0.2841	0.2841
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0129	0.1387	0.1387
Echinococcus granulosus	cyclin dependent kinase	0.0129	0.1387	0.4881
Echinococcus multilocularis	cyclins	0.0092	0.0785	0.2765
Trypanosoma cruzi	CYC2-like cyclin, putative	0.022	0.2841	1
Giardia lamblia	Kinase, CMGC CDK	0.0129	0.1387	0.2925
Schistosoma mansoni	cyclin B3	0.0092	0.0785	0.0785
Trichomonas vaginalis	cyclins, putative	0.022	0.2841	1
Echinococcus multilocularis	cyclin dependent kinase	0.0129	0.1387	0.4881
Echinococcus multilocularis	cyclins	0.0092	0.0785	0.2765
Trichomonas vaginalis	cyclin B, putative	0.022	0.2841	1
Echinococcus granulosus	cyclins	0.0092	0.0785	0.2765
Entamoeba histolytica	cell division protein kinase 2, putative	0.0129	0.1387	0.2925
Echinococcus multilocularis	cyclin dependent kinase 5	0.0129	0.1387	0.4881
Echinococcus multilocularis	cyclin dependent kinase 1	0.0129	0.1387	0.4881
Giardia lamblia	Kinase, CMGC CDK	0.0129	0.1387	0.2925
Trichomonas vaginalis	cyclin B, putative	0.022	0.2841	1
Echinococcus multilocularis	cyclin B3 1	0.0092	0.0785	0.2765
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0483	0.0483
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0102	0.036
Echinococcus granulosus	cyclin dependent kinase 1	0.0129	0.1387	0.4881
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.1166	0.4106
Echinococcus multilocularis	cyclins	0.0092	0.0785	0.2765
Trichomonas vaginalis	CMGC family protein kinase	0.0129	0.1387	0.2925
Entamoeba histolytica	cell division protein kinase 2, putative	0.0129	0.1387	0.2925
Plasmodium falciparum	protein kinase 5	0.0129	0.1387	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0129	0.1387	1
Trichomonas vaginalis	cyclins, putative	0.022	0.2841	1
Trichomonas vaginalis	cyclin A, putative	0.022	0.2841	1
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.022	0.2841	1
Trypanosoma cruzi	cyclin, putative	0.022	0.2841	1
Entamoeba histolytica	cyclin, putative	0.022	0.2841	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0092	0.0785	0.0785
Loa Loa (eye worm)	hypothetical protein	0.022	0.2841	0.2841
Onchocerca volvulus		0.022	0.2841	0.5
Schistosoma mansoni	cyclin B	0.022	0.2841	0.2841
Trichomonas vaginalis	cyclin B, putative	0.022	0.2841	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.022	0.2841	0.2841
Trichomonas vaginalis	cyclins, putative	0.022	0.2841	1
Schistosoma mansoni	serine/threonine protein kinase	0.0129	0.1387	0.1387
Trypanosoma brucei	mitotic cyclin 6	0.022	0.2841	1
Trichomonas vaginalis	CMGC family protein kinase	0.0129	0.1387	0.2925
Brugia malayi	jmjC domain containing protein	0.0115	0.1166	0.1166
Echinococcus multilocularis	cyclin b3	0.0092	0.0785	0.2765
Trypanosoma cruzi	cyclin, putative	0.022	0.2841	1
Trichomonas vaginalis	CMGC family protein kinase	0.0129	0.1387	0.2925
Echinococcus granulosus	cyclin B	0.022	0.2841	1
Trichomonas vaginalis	cyclin B, putative	0.022	0.2841	1
Leishmania major	cyclin	0.022	0.2841	1
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0666	1	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.1166	0.4106
Echinococcus granulosus	cyclin b3	0.0092	0.0785	0.2765
Loa Loa (eye worm)	hypothetical protein	0.006	0.0285	0.0285
Schistosoma mansoni	serine/threonine protein kinase	0.0666	1	1
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0102	0.036
Trichomonas vaginalis	cyclins, putative	0.015	0.1726	0.4577
Loa Loa (eye worm)	cyclin domain-containing protein	0.0092	0.0785	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1335	0.1335
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0129	0.1387	0.1387
Loa Loa (eye worm)	hypothetical protein	0.022	0.2841	0.2841
Echinococcus granulosus	cyclins	0.0092	0.0785	0.2765
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1372	0.1372
Echinococcus multilocularis	cyclin B	0.022	0.2841	1
Echinococcus multilocularis	cyclins	0.0092	0.0785	0.2765
Giardia lamblia	G2/mitotic-specific cyclin B	0.022	0.2841	1
Plasmodium vivax	protein kinase Crk2	0.0129	0.1387	0.5
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0092	0.0785	0.2765
Brugia malayi	cell division control protein 2 homolog	0.0129	0.1387	0.1387
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0092	0.0785	0.2765
Trypanosoma cruzi	cyclin 6, putative	0.022	0.2841	1
Echinococcus granulosus	cyclin dependent kinase 5	0.0129	0.1387	0.4881
Schistosoma mansoni	cyclins	0.0092	0.0785	0.0785
Echinococcus granulosus	cyclins	0.0092	0.0785	0.2765
Brugia malayi	Protein kinase domain containing protein	0.0129	0.1387	0.1387

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	29.9349 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1339214

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 1257255