TDR Targets

Basic information

Technical information

TDR Targets ID: 34627
Name: 2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)-4-ox o-1H-indeno[1,2-c]pyrazol-5-yl]acetamide
MW: 424.451 | Formula: C25H20N4O3
H donors: 3 H acceptors: 3 LogP: 3.66 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1[nH]nc2c1C(=O)c1c2cccc1NC(=O)Cc1ccc(cc1)N
InChi: 1S/C25H20N4O3/c1-32-17-11-7-15(8-12-17)23-22-24(29-28-23)18-3-2-4-19(21(18)25(22)31)27-20(30)13-14-5-9-16(26)10-6-14/h2-12H,13,26H2,1H3,(H,27,30)(H,28,29)
InChiKey: BHTSYKGIHPKWBB-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

2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]ethanamide
2-(4-aminophenyl)-N-[4-keto-3-(4-methoxyphenyl)-1H-indeno[1,2-c]pyrazol-5-yl]acetamide
2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
2-(4-aminophenyl)-N-[4-keto-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]ethanamide
Indenopyrazole 6a

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cyclin E2	Starlite/ChEMBL	References
Homo sapiens	cyclin D1	Starlite/ChEMBL	References

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
Echinococcus multilocularis	cyclins	0.0043	0.5206	0.5206
Trypanosoma cruzi	cyclin, putative	0.0043	0.5206	1
Echinococcus multilocularis	pyruvate kinase	0.0035	0.3513	0.3513
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.3668	0.024
Leishmania major	cyclin	0.0043	0.5206	1
Echinococcus multilocularis	tar DNA binding protein	0.0066	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.5206	0.4472
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.7081	0.55
Trichomonas vaginalis	cyclin B3, putative	0.0043	0.5206	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.5206	1
Echinococcus multilocularis	cyclins	0.0043	0.5206	0.5206
Giardia lamblia	Hypothetical protein	0.0043	0.5206	1
Trichomonas vaginalis	cyclins, putative	0.0043	0.5206	1
Schistosoma mansoni	pyruvate kinase	0.0035	0.3513	0.3513
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0043	0.5206	0.5206
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0043	0.5206	0.2611
Brugia malayi	TAR-binding protein	0.0066	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0066	1	1
Schistosoma mansoni	pyruvate kinase	0.0035	0.3513	0.3513
Echinococcus multilocularis	cyclins	0.0043	0.5206	0.5206
Trypanosoma brucei	mitotic cyclin 6	0.0043	0.5206	1
Trichomonas vaginalis	cyclin A, putative	0.0043	0.5206	1
Echinococcus granulosus	pyruvate kinase	0.0035	0.3513	0.3513
Trichomonas vaginalis	cyclin B, putative	0.0043	0.5206	1
Trichomonas vaginalis	cyclin B, putative	0.0043	0.5206	1
Toxoplasma gondii	hypothetical protein	0.0033	0.3056	0.8701
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0043	0.5206	0.2611
Giardia lamblia	Pyruvate kinase	0.0035	0.3513	0.6747
Schistosoma mansoni	tar DNA-binding protein	0.0066	1	1
Echinococcus granulosus	tar DNA binding protein	0.0066	1	1
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.3513	0.2518
Trypanosoma cruzi	cyclin, putative	0.0043	0.5206	1
Chlamydia trachomatis	pyruvate kinase	0.0035	0.3513	0.5
Loa Loa (eye worm)	RNA binding protein	0.0066	1	1
Plasmodium vivax	pyruvate kinase, putative	0.0035	0.3513	1
Schistosoma mansoni	tar DNA-binding protein	0.0066	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.7081	0.55
Echinococcus multilocularis	cyclins	0.0043	0.5206	0.5206
Schistosoma mansoni	hypothetical protein	0.0035	0.3668	0.3668
Echinococcus multilocularis	cyclins	0.0043	0.5206	0.5206
Echinococcus granulosus	pyruvate kinase	0.0035	0.3513	0.3513
Schistosoma mansoni	cyclin B3	0.0043	0.5206	0.5206
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0043	0.5206	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0043	0.5206	0.5206
Onchocerca volvulus		0.0043	0.5206	1
Trichomonas vaginalis	cyclin B, putative	0.0043	0.5206	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0035	0.3513	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0043	0.5206	0.4472
Giardia lamblia	Cyclin A	0.0043	0.5206	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0035	0.3513	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0066	1	1
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.3513	0.2518
Plasmodium falciparum	pyruvate kinase	0.0035	0.3513	0.6747
Entamoeba histolytica	cyclin, putative	0.0043	0.5206	1
Trichomonas vaginalis	cyclin B, putative	0.0043	0.5206	1
Mycobacterium ulcerans	pyruvate kinase	0.0035	0.3513	0.5
Plasmodium falciparum	cyclin	0.0043	0.5206	1
Trichomonas vaginalis	cyclin D, putative	0.0043	0.5206	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.7081	0.6633
Echinococcus multilocularis	pyruvate kinase	0.0027	0.1992	0.1992
Schistosoma mansoni	cyclin B	0.0043	0.5206	0.5206
Loa Loa (eye worm)	hypothetical protein	0.0043	0.5206	0.4472
Echinococcus granulosus	cyclin b3	0.0043	0.5206	0.5206
Schistosoma mansoni	cyclins	0.0043	0.5206	0.5206
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0043	0.5206	0.2611
Echinococcus multilocularis	cyclin b3	0.0043	0.5206	0.5206
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0035	0.3513	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.7081	0.6633
Trichomonas vaginalis	cyclins, putative	0.0043	0.5206	1
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.3513	0.2518
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	1	1
Trichomonas vaginalis	cyclin D, putative	0.0043	0.5206	1
Echinococcus granulosus	cyclins	0.0043	0.5206	0.5206
Trypanosoma cruzi	cyclin 6, putative	0.0043	0.5206	1
Echinococcus granulosus	cyclins	0.0043	0.5206	0.5206
Echinococcus granulosus	cyclins	0.0043	0.5206	0.5206
Schistosoma mansoni	tar DNA-binding protein	0.0066	1	1
Echinococcus multilocularis	cyclin B3 1	0.0043	0.5206	0.5206
Echinococcus multilocularis	pyruvate kinase	0.0035	0.3513	0.3513
Echinococcus granulosus	cyclins	0.0043	0.5206	0.5206
Trichomonas vaginalis	cyclins, putative	0.0043	0.5206	1
Echinococcus granulosus	cyclin B3 1	0.0043	0.5206	0.5206
Loa Loa (eye worm)	hypothetical protein	0.0035	0.3513	0.2518
Trichomonas vaginalis	cyclins, putative	0.0043	0.5206	1
Echinococcus multilocularis	cyclin B	0.0043	0.5206	0.5206
Schistosoma mansoni	tar DNA-binding protein	0.0066	1	1
Echinococcus granulosus	cyclins	0.0043	0.5206	0.5206
Loa Loa (eye worm)	hypothetical protein	0.0035	0.3668	0.2698
Echinococcus multilocularis	cyclins	0.0043	0.5206	0.5206
Trichomonas vaginalis	cyclin B, putative	0.0043	0.5206	1
Entamoeba histolytica	cyclin family protein	0.0043	0.5206	1
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0043	0.5206	1
Entamoeba histolytica	cyclin family protein	0.0043	0.5206	1
Brugia malayi	RNA recognition motif domain containing protein	0.0066	1	1
Giardia lamblia	G2/mitotic-specific cyclin B	0.0043	0.5206	1
Entamoeba histolytica	cyclin, putative	0.0043	0.5206	1
Echinococcus granulosus	cyclin B	0.0043	0.5206	0.5206
Trichomonas vaginalis	cyclins, putative	0.0043	0.5206	1
Echinococcus multilocularis	cyclins	0.0043	0.5206	0.5206

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.038 uM	Inhibition of Cyclin-dependent kinase 2-cyclin E	ChEMBL.	11311054
IC50 (binding)	= 0.038 uM	Compound was evaluated for inhibition of Cyclin-dependent kinase 2-cyclin E	ChEMBL.	12431050
IC50 (binding)	= 0.038 uM	Inhibition of Cyclin-dependent kinase 2-cyclin E	ChEMBL.	11311054
IC50 (binding)	= 0.038 uM	Compound was evaluated for inhibition of Cyclin-dependent kinase 2-cyclin E	ChEMBL.	12431050
IC50 (functional)	= 0.4 uM	Inhibition of HCT116 cell proliferation	ChEMBL.	11311054
IC50 (functional)	= 0.4 uM	Inhibition of HCT116 cell proliferation	ChEMBL.	11311054
IC50 (binding)	= 0.48 uM	Inhibition of Cyclin Dependent Kinase 4 cyclin D1	ChEMBL.	11311054
IC50 (binding)	= 0.48 uM	Compound was evaluated for 50% inhibition of Cyclin-dependent kinase 4-cyclin D1	ChEMBL.	12431050
IC50 (binding)	= 0.48 uM	Inhibition of Cyclin Dependent Kinase 4 cyclin D1	ChEMBL.	11311054
IC50 (binding)	= 0.48 uM	Compound was evaluated for 50% inhibition of Cyclin-dependent kinase 4-cyclin D1	ChEMBL.	12431050
IC50 (functional)	> 24 uM	Cytotoxic effect on human AG1523 fibroblast cells	ChEMBL.	11311054
IC50 (functional)	> 24 uM	Cytotoxic effect on human AG1523 fibroblast cells	ChEMBL.	11311054

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	11311054

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

PubChem: 5329737

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 34627