TDR Targets

Basic information

Technical information

TDR Targets ID: 1316764
Name: phenylmethyl 5-(4-methoxyphenyl)-4,6-dioxo-3a ,6a-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carbo xylate
MW: 379.366 | Formula: C20H17N3O5
H donors: 1 H acceptors: 3 LogP: 2.47 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N1C(=O)C2C(C1=O)NN=C2C(=O)OCc1ccccc1
InChi: 1S/C20H17N3O5/c1-27-14-9-7-13(8-10-14)23-18(24)15-16(19(23)25)21-22-17(15)20(26)28-11-12-5-3-2-4-6-12/h2-10,15-16,21H,11H2,1H3
InChiKey: BZILHKWBVUWUJV-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

5-(4-methoxyphenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid phenylmethyl ester
4,6-diketo-5-(4-methoxyphenyl)-3a,6a-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid benzyl ester
A3560/0151019
BAS 07804365
MLS000708351
SMR000287818
Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydro-, benzyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723

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
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Echinococcus granulosus	slit 2 protein	0.0938	0.2148	0.2121
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Echinococcus granulosus	neurogenic locus protein delta	0.0938	0.2148	0.2121
Toxoplasma gondii	EGF family domain-containing protein	0.0938	0.2148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Schistosoma mansoni	hypothetical protein	0.0938	0.2148	0.2121
Brugia malayi	notch-like transmembrane receptor	0.0938	0.2148	0.2148
Onchocerca volvulus		0.4302	1	1
Schistosoma mansoni	notch	0.0938	0.2148	0.2121
Echinococcus granulosus	delta-like protein 1	0.0938	0.2148	0.2121
Onchocerca volvulus		0.0938	0.2148	0.2121
Echinococcus multilocularis	protein jagged 1	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Brugia malayi	EGF-like domain containing protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	blistered cuticle protein 3	0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Brugia malayi	Animal haem peroxidase family protein	0.4302	1	1
Brugia malayi	EGF-like domain containing protein	0.0938	0.2148	0.2148
Onchocerca volvulus	Peroxidasin homolog	0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Onchocerca volvulus	Peroxidasin homolog	0.4302	1	1
Brugia malayi	Animal haem peroxidase family protein	0.4302	1	1
Echinococcus multilocularis	neural cadherin	0.0938	0.2148	0.2121
Brugia malayi	Blistered cuticle protein 3	0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0035	0.0035
Echinococcus multilocularis	neurogenic locus protein delta	0.0938	0.2148	0.2121
Loa Loa (eye worm)	animal heme peroxidase	0.4302	1	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0035	0.0035
Echinococcus multilocularis	neurogenic locus notch protein	0.0938	0.2148	0.2121
Schistosoma mansoni	hypothetical protein	0.0938	0.2148	0.2121
Brugia malayi	Calcium binding EGF domain containing protein	0.0938	0.2148	0.2148
Onchocerca volvulus	Putative cubilin	0.0938	0.2148	0.2121
Echinococcus multilocularis	neurogenic locus notch protein	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Brugia malayi	EGF-like domain containing protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0034	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Brugia malayi	EGF-like domain containing protein	0.0938	0.2148	0.2148
Onchocerca volvulus	Peroxidase homolog	0.4302	1	1
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Brugia malayi	Calcium binding EGF domain containing protein	0.0938	0.2148	0.2148
Onchocerca volvulus	Peroxidase homolog	0.4302	1	1
Schistosoma mansoni	cell polarity protein	0.0938	0.2148	0.2121
Brugia malayi	GCC2 and GCC3 family protein	0.0938	0.2148	0.2148
Schistosoma mansoni	peroxidasin	0.4302	1	1
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0938	0.2148	0.2121
Echinococcus multilocularis	slit 2 protein	0.0938	0.2148	0.2121
Brugia malayi	Cadherin domain containing protein	0.0938	0.2148	0.2148
Onchocerca volvulus		0.0938	0.2148	0.2121
Echinococcus multilocularis	protein jagged 2	0.0938	0.2148	0.2121
Schistosoma mansoni	notch	0.0938	0.2148	0.2121
Brugia malayi	EGF-like domain containing protein	0.0938	0.2148	0.2148
Onchocerca volvulus		0.0938	0.2148	0.2121
Schistosoma mansoni	hypothetical protein	0.0938	0.2148	0.2121
Loa Loa (eye worm)	animal heme peroxidase	0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Schistosoma mansoni	peroxidasin	0.4302	1	1
Schistosoma mansoni	hypothetical protein	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Onchocerca volvulus		0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Echinococcus granulosus	protein jagged 1	0.0938	0.2148	0.2121
Brugia malayi	Cadherin domain containing protein	0.0938	0.2148	0.2148
Onchocerca volvulus	Slit protein homolog	0.0938	0.2148	0.2121
Brugia malayi	Animal haem peroxidase family protein	0.4302	1	1
Loa Loa (eye worm)	Notch2	0.0938	0.2148	0.2148
Schistosoma mansoni	septate junction protein	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Echinococcus multilocularis	protein jagged 1	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Schistosoma mansoni	notch	0.0938	0.2148	0.2121
Echinococcus granulosus	neurogenic locus notch protein 4	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Echinococcus granulosus	notch	0.0938	0.2148	0.2121
Onchocerca volvulus		0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Onchocerca volvulus	Neurogenic locus notch homolog	0.0938	0.2148	0.2121
Onchocerca volvulus	Chorion peroxidase homolog	0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Schistosoma mansoni	notch	0.0938	0.2148	0.2121
Schistosoma mansoni	notch	0.0938	0.2148	0.2121
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0035	0.0035
Echinococcus granulosus	fibropellin Ia	0.0938	0.2148	0.2121
Loa Loa (eye worm)	animal heme peroxidase	0.4302	1	1
Echinococcus granulosus	neurogenic locus notch protein	0.0938	0.2148	0.2121
Brugia malayi	Peroxidasin	0.4302	1	1
Brugia malayi	Muscle positioning protein 4	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Brugia malayi	Animal haem peroxidase family protein	0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Echinococcus multilocularis	peroxidasin	0.4302	1	1
Echinococcus granulosus	peroxidasin	0.4302	1	1
Onchocerca volvulus		0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Schistosoma mansoni	notch	0.0938	0.2148	0.2121
Echinococcus multilocularis	fibropellin Ia	0.0938	0.2148	0.2121
Echinococcus granulosus	protein jagged 2	0.0938	0.2148	0.2121
Echinococcus multilocularis	notch	0.0938	0.2148	0.2121
Brugia malayi	Animal haem peroxidase family protein	0.4302	1	1
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Echinococcus granulosus	neurogenic locus notch protein	0.0938	0.2148	0.2121
Echinococcus granulosus	protein jagged 2	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0035	0.0035
Brugia malayi	EGF-like domain containing protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Brugia malayi	intermediate filament protein	0.0033	0.0035	0.0035
Echinococcus multilocularis	neurogenic locus protein delta	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Onchocerca volvulus		0.0938	0.2148	0.2121
Echinococcus granulosus	neural cadherin	0.0938	0.2148	0.2121
Schistosoma mansoni	hypothetical protein	0.0938	0.2148	0.2121
Echinococcus granulosus	protein jagged 1	0.0938	0.2148	0.2121
Schistosoma mansoni	hypothetical protein	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0938	0.2148	0.2148
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Brugia malayi	EGF-like domain containing protein	0.0938	0.2148	0.2148
Giardia lamblia	High cysteine protein	0.0938	0.2148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0938	0.2148	0.2148
Onchocerca volvulus	Dual oxidase homolog	0.4302	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.4302	1	1
Schistosoma mansoni	laminin gamma-3 chain	0.0938	0.2148	0.2121
Loa Loa (eye worm)	notch protein	0.0938	0.2148	0.2148
Brugia malayi	Delta serrate ligand family protein	0.0938	0.2148	0.2148
Schistosoma mansoni	slit	0.0938	0.2148	0.2121
Schistosoma mansoni	hypothetical protein	0.0938	0.2148	0.2121
Loa Loa (eye worm)	hypothetical protein	0.4302	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 44.6684 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	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

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: CHEMBL1463127

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 1316764