TDR Targets

Basic information

Technical information

TDR Targets ID: 256621
Name: 1-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[1,2-c] pyrazol-5-yl]-3-phenylurea
MW: 410.425 | Formula: C24H18N4O3
H donors: 3 H acceptors: 3 LogP: 4.14 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1[nH]nc2c1C(=O)c1c2cccc1NC(=O)Nc1ccccc1
InChi: 1S/C24H18N4O3/c1-31-16-12-10-14(11-13-16)21-20-22(28-27-21)17-8-5-9-18(19(17)23(20)29)26-24(30)25-15-6-3-2-4-7-15/h2-13H,1H3,(H,27,28)(H2,25,26,30)
InChiKey: QARVJSXJBXBDLJ-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-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[1,2-c]pyrazol-5-yl]-3-phenyl-urea
1-[4-keto-3-(4-methoxyphenyl)-1H-indeno[1,2-c]pyrazol-5-yl]-3-phenyl-urea
1-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-phenylurea
1-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-phenyl-urea
1-[4-keto-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]-3-phenyl-urea
Indenopyrazole 11g

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cyclin D1	Starlite/ChEMBL	References
Homo sapiens	cyclin E2	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
Brugia malayi	Matrixin family protein	0.0109	0.1005	0.1945
Brugia malayi	Matrixin family protein	0.0224	0.5169	1
Schistosoma mansoni	hypothetical protein	0.0115	0.1202	0.1658
Brugia malayi	Hemopexin family protein	0.0115	0.1202	0.2326
Brugia malayi	Matrixin family protein	0.0109	0.1005	0.1945
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0091	0.0332	0.5
Loa Loa (eye worm)	AStacin protease	0.0176	0.3423	0.4721
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0091	0.0332	0.5
Onchocerca volvulus	Matrilysin homolog	0.0109	0.1005	0.1722
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0133	0.187	0.5
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0243	0.5836	1
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1005	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1005	0.1387
Mycobacterium leprae	PROBABLE HYDROLASE	0.0133	0.187	0.5
Loa Loa (eye worm)	hypothetical protein	0.0133	0.187	0.2579
Onchocerca volvulus	Matrilysin homolog	0.0243	0.5836	1
Mycobacterium ulcerans	hydrolase	0.0133	0.187	0.5
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0133	0.187	0.3617
Brugia malayi	Matrixin family protein	0.0109	0.1005	0.1945
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0282	0.725	1
Loa Loa (eye worm)	matrixin family protein	0.0243	0.5836	0.805
Loa Loa (eye worm)	hypothetical protein	0.027	0.6835	0.9427
Echinococcus granulosus	Tolloid protein 1	0.0282	0.725	0.7156
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0358	1	1
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0091	0.0332	0.0458
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0109	0.1005	0.1387
Loa Loa (eye worm)	matrix metalloproteinase	0.0109	0.1005	0.1387
Brugia malayi	Fibulin-1 precursor	0.0091	0.0332	0.0642
Echinococcus multilocularis	Tolloid protein 1	0.0282	0.725	0.7156
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1005	0.1387
Onchocerca volvulus		0.0115	0.1202	0.206
Brugia malayi	Matrixin family protein	0.0109	0.1005	0.1945
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0282	0.725	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0332	0.0458
Loa Loa (eye worm)	matrixin family protein	0.0224	0.5169	0.7129
Onchocerca volvulus		0.0109	0.1005	0.1722
Brugia malayi	Calcium binding EGF domain containing protein	0.0091	0.0332	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1198	0.1652

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.032 uM	Compound was evaluated for inhibition of Cyclin-dependent kinase 2-cyclin E	ChEMBL.	12431050
IC50 (binding)	= 0.032 uM	Compound was evaluated for inhibition of Cyclin-dependent kinase 2-cyclin E	ChEMBL.	12431050
IC50 (binding)	= 0.877 uM	Compound was evaluated for 50% inhibition of Cyclin-dependent kinase 4-cyclin D1	ChEMBL.	12431050
IC50 (binding)	= 0.877 uM	Compound was evaluated for 50% inhibition of Cyclin-dependent kinase 4-cyclin D1	ChEMBL.	12431050

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

PubChem: 5329760

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 256621