TDR Targets

Basic information

Technical information

TDR Targets ID: 804897
Name: 3-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)-4 ,5-dihydro-1H-pyrrolo[4,3-d]pyrazol-6-one
MW: 347.41 | Formula: C21H21N3O2
H donors: 2 H acceptors: 2 LogP: 3.16 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1[nH]nc2c1C(NC2=O)c1ccc(cc1)C(C)C
InChi: 1S/C21H21N3O2/c1-12(2)13-4-6-14(7-5-13)18-17-19(23-24-20(17)21(25)22-18)15-8-10-16(26-3)11-9-15/h4-12,18H,1-3H3,(H,22,25)(H,23,24)
InChiKey: JGRFGABECGZTRN-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

4-(4-isopropylphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrrolo[4,3-d]pyrazol-6-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 granulosus	intermediate filament protein	0.0045	0.0314	0.0486
Entamoeba histolytica	hypothetical protein	0.0064	0.0478	0.5
Brugia malayi	Pax transcription factor protein 2	0.0218	0.1839	0.41
Onchocerca volvulus		0.0197	0.1653	0.8991
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0464	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0266	0.0593
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0109	0.0242
Mycobacterium ulcerans	two component transcriptional regulatory protein DevR	0.1143	1	1
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1124	0.2506
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0062	0.0464	0.1036
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0039	0.0266	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1078	0.2404
Onchocerca volvulus		0.0045	0.0314	0.1705
Trichomonas vaginalis	set domain proteins, putative	0.0197	0.1653	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0039	0.0266	0.0593
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0039	0.0266	0.0412
Brugia malayi	hypothetical protein	0.0064	0.0478	0.1065
Schistosoma mansoni	intermediate filament proteins	0.0045	0.0314	0.0486
Brugia malayi	Latrophilin receptor protein 2	0.0039	0.0266	0.0593
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0314	0.0699
Onchocerca volvulus		0.0218	0.1839	1
Schistosoma mansoni	hypothetical protein	0.0439	0.3792	0.5875
Brugia malayi	MH2 domain containing protein	0.0108	0.087	0.1941
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0712	0.1103
Entamoeba histolytica	hypothetical protein	0.0064	0.0478	0.5
Entamoeba histolytica	hypothetical protein	0.0064	0.0478	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0101	0.0226
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0062	0.0464	0.072
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0025	0.0141	0.0219
Onchocerca volvulus		0.0062	0.0464	0.2526
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0125	0.1018	0.227
Onchocerca volvulus		0.0031	0.019	0.1031
Brugia malayi	RNA binding protein	0.0057	0.0423	0.0943
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0039	0.0266	0.0593
Onchocerca volvulus	Huntingtin homolog	0.0132	0.1078	0.5863
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0025	0.0141	0.0219
Mycobacterium ulcerans	nitrate/nitrite response regulator protein NarL	0.1143	1	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0116	0.0936	1
Echinococcus multilocularis	GPCR, family 2	0.0039	0.0266	0.0412
Echinococcus granulosus	dnaJ subfamily B	0.0439	0.3792	0.5875
Mycobacterium tuberculosis	Possible two component transcriptional regulatory protein (probably LuxR-family)	0.1143	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0396	0.3412	0.3091
Echinococcus granulosus	histone lysine methyltransferase setb	0.0025	0.0141	0.0219
Schistosoma mansoni	hypothetical protein	0.0064	0.0478	0.074
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0062	0.0464	0.072
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0039	0.0266	0.0412
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0025	0.0141	0.0219
Brugia malayi	follicle stimulating hormone receptor	0.0207	0.1745	0.389
Brugia malayi	latrophilin 2 splice variant baaae	0.0085	0.067	0.1494
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0025	0.0141	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0464	0.1036
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0077	0.0597	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0464	0.1036
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.019	0.0423
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0024	0.0127	0.0197
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0173	0.1443	0.3218
Mycobacterium tuberculosis	Probable transcriptional regulatory protein	0.1143	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0116	0.0936	0.145
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0025	0.0141	0.0219
Echinococcus multilocularis	tar DNA binding protein	0.0057	0.0423	0.0656
Onchocerca volvulus		0.0045	0.0314	0.1705
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0116	0.0936	0.0495
Brugia malayi	hypothetical protein	0.0132	0.1078	0.2404
Schistosoma mansoni	lamin	0.0045	0.0314	0.0486
Echinococcus multilocularis	microtubule associated protein 2	0.0741	0.6455	1
Trypanosoma brucei	hypothetical protein, conserved	0.0062	0.0464	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0712	0.1103
Schistosoma mansoni	amine GPCR	0.0149	0.1228	0.1902
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0064	0.0478	0.074
Onchocerca volvulus		0.0137	0.1124	0.6112
Schistosoma mansoni	hypothetical protein	0.0077	0.0597	0.0926
Trypanosoma cruzi	hypothetical protein, conserved	0.0062	0.0464	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0207	0.1745	0.389
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0423	0.0656
Echinococcus granulosus	beta LACTamase domain containing family member	0.0062	0.0464	0.072
Onchocerca volvulus		0.0062	0.0464	0.2526
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0116	0.0936	0.0495
Plasmodium vivax	hypothetical protein, conserved	0.0062	0.0464	1
Onchocerca volvulus		0.0077	0.0597	0.3249
Loa Loa (eye worm)	hypothetical protein	0.0518	0.4485	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0712	0.1103
Schistosoma mansoni	survival motor neuron protein	0.0077	0.0597	0.0926
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.001	0.0015
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0712	0.1103
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0712	0.1103
Mycobacterium ulcerans	hypothetical protein	0.1143	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0712	0.1103
Echinococcus granulosus	GPCR family 2	0.0039	0.0266	0.0412
Echinococcus granulosus	tar DNA binding protein	0.0057	0.0423	0.0656
Schistosoma mansoni	hypothetical protein	0.0039	0.0266	0.0412
Schistosoma mansoni	microtubule-associated protein tau	0.0741	0.6455	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0025	0.0141	0.0219
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0125	0.1018	0.227
Schistosoma mansoni	hypothetical protein	0.0039	0.0266	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0101	0.0226
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0022	0.0109	0.0168
Mycobacterium ulcerans	two component transcriptional regulator	0.1143	1	1
Loa Loa (eye worm)	RNA binding protein	0.0057	0.0423	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1018	0.227
Loa Loa (eye worm)	MH2 domain-containing protein	0.0108	0.087	0.1941
Schistosoma mansoni	hypothetical protein	0.0039	0.0266	0.0412
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0712	0.1587
Echinococcus granulosus	microtubule associated protein 2	0.0741	0.6455	1
Brugia malayi	Pre-SET motif family protein	0.0173	0.1443	0.3218
Onchocerca volvulus		0.0062	0.0464	0.2526
Loa Loa (eye worm)	histone methyltransferase	0.001	0.001	0.0022
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0024	0.013	0.0289
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0712	0.1103
Schistosoma mansoni	cpg binding protein	0.0033	0.0205	0.0318
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0423	0.0656
Mycobacterium ulcerans	putative regulatory protein	0.1143	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0378	0.3251	0.5036
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0464	0.1036
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0116	0.0936	0.145
Echinococcus granulosus	lamin dm0	0.0045	0.0314	0.0486
Brugia malayi	hypothetical protein	0.0378	0.3251	0.7249
Echinococcus multilocularis	dnaJ subfamily B	0.0439	0.3792	0.5875
Loa Loa (eye worm)	intermediate filament protein	0.0045	0.0314	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0141	0.0315
Schistosoma mansoni	cpg binding protein	0.0031	0.019	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0085	0.067	0.1494
Brugia malayi	beta-lactamase family protein	0.0062	0.0464	0.1036
Brugia malayi	cytoplasmic intermediate filament protein	0.0024	0.013	0.0289
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0045	0.0314	0.0699
Brugia malayi	Pre-SET motif family protein	0.0025	0.0141	0.0315
Brugia malayi	CXXC zinc finger family protein	0.0031	0.019	0.0423
Trypanosoma cruzi	hypothetical protein, conserved	0.0062	0.0464	0.5
Loa Loa (eye worm)	beta-lactamase	0.0062	0.0464	0.1036
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0057	0.0423	0.0943
Schistosoma mansoni	hypothetical protein	0.0085	0.067	0.1038
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0062	0.0464	0.1036
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (probably LuxR/UhpA-family)	0.1143	1	1
Schistosoma mansoni	lamin	0.0045	0.0314	0.0486
Brugia malayi	intermediate filament protein	0.0045	0.0314	0.0699
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0022	0.0109	0.0168
Schistosoma mansoni	transcription factor LCR-F1	0.0064	0.0478	0.074
Toxoplasma gondii	ABC1 family protein	0.0062	0.0464	0.4066
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1078	0.2404
Mycobacterium tuberculosis	Possible transcriptional regulatory protein	0.1143	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0062	0.0464	0.072
Brugia malayi	TAR-binding protein	0.0057	0.0423	0.0943
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (LuxR-family)	0.1143	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0116	0.0936	0.145
Onchocerca volvulus		0.0025	0.0141	0.0769
Echinococcus granulosus	cpg binding protein	0.0033	0.0205	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0464	0.1036
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0009	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0378	0.3251	0.7249
Schistosoma mansoni	aldehyde dehydrogenase	0.0116	0.0936	0.145
Mycobacterium tuberculosis	Possible nitrate/nitrite response transcriptional regulatory protein NarL	0.1143	1	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0306	0.0683
Brugia malayi	Intermediate filament tail domain containing protein	0.0045	0.0314	0.0699
Schistosoma mansoni	cpg binding protein	0.0033	0.0205	0.0318
Echinococcus granulosus	lamin	0.0045	0.0314	0.0486
Brugia malayi	RNA recognition motif domain containing protein	0.0057	0.0423	0.0943
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0423	0.0656
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0712	0.1587
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0423	0.0656
Echinococcus multilocularis	cpg binding protein	0.0033	0.0205	0.0318
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0441	0.3769
Loa Loa (eye worm)	transcription factor SMAD2	0.0108	0.087	0.1941
Echinococcus multilocularis	lamin	0.0045	0.0314	0.0486
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0039	0.0266	0.0412
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0116	0.0936	0.0495
Echinococcus multilocularis	lamin dm0	0.0045	0.0314	0.0486
Loa Loa (eye worm)	TAR-binding protein	0.0057	0.0423	0.0943
Echinococcus multilocularis	musashi	0.0045	0.0314	0.0486
Toxoplasma gondii	aldehyde dehydrogenase	0.0116	0.0936	1
Brugia malayi	beta-lactamase family protein	0.0062	0.0464	0.1036
Brugia malayi	beta-lactamase	0.0062	0.0464	0.1036
Loa Loa (eye worm)	pax transcription factor protein 2	0.0218	0.1839	0.41
Mycobacterium ulcerans	hydrolase/amidase	0.0271	0.231	0.1935
Onchocerca volvulus	Huntingtin homolog	0.0132	0.1078	0.5863
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0423	0.0656
Brugia malayi	hypothetical protein	0.0518	0.4485	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0266	0.0412
Entamoeba histolytica	hypothetical protein	0.0064	0.0478	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0125	0.1018	0.227
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.0503	0.0779
Echinococcus multilocularis	survival motor neuron protein 1	0.0378	0.3251	0.5036
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0064	0.0478	0.074
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0464	0.1036
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0116	0.0936	0.0495
Brugia malayi	hypothetical protein	0.0137	0.1124	0.2506
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.001	0.0015

Activities

No activities found for this compound.

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

Search by Saint Jude

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 804897