TDR Targets

Basic information

Technical information

TDR Targets ID: 909771
Name: 5-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydropy razol-1-yl]-5-oxopentanoic acid
MW: 366.41 | Formula: C21H22N2O4
H donors: 1 H acceptors: 3 LogP: 2.46 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C1CC(=NN1C(=O)CCCC(=O)O)c1ccccc1
InChi: 1S/C21H22N2O4/c1-27-17-12-10-16(11-13-17)19-14-18(15-6-3-2-4-7-15)22-23(19)20(24)8-5-9-21(25)26/h2-4,6-7,10-13,19H,5,8-9,14H2,1H3,(H,25,26)
InChiKey: SFOISNSYBJHMMG-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

5-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]-5-oxo-pentanoic acid
5-keto-5-[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]valeric acid
Oprea1_226240
ChemDiv1_004706
STOCK3S-47071
5-[5-(4-Methoxy-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-5-oxo-pentanoic acid
BAS 02072368
Oprea1_202677
MLS001207913
SMR000517321

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
Giardia lamblia	Methionyl-tRNA synthetase	0.0471	0.3286	1
Echinococcus multilocularis	methionine tRNA synthetase	0.0471	0.3286	1
Leishmania major	leucyl-tRNA synthetase, putative	0.018	0.106	0.145
Schistosoma mansoni	Smad4	0.0092	0.0389	0.0666
Brugia malayi	TAR-binding protein	0.0203	0.1239	0.1239
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0084	0.0328	0.0997
Echinococcus multilocularis	isocitrate dehydrogenase	0.013	0.0683	0.2078
Treponema pallidum	leucyl-tRNA synthetase	0.018	0.106	1
Brugia malayi	MH2 domain containing protein	0.0092	0.0389	0.0389
Toxoplasma gondii	isocitrate dehydrogenase	0.013	0.0683	0.1201
Schistosoma mansoni	methionine-tRNA synthetase	0.018	0.106	0.1817
Loa Loa (eye worm)	MH1 domain-containing protein	0.0092	0.0389	0.0389
Brugia malayi	MH1 domain containing protein	0.0092	0.0389	0.0389
Schistosoma mansoni	hypothetical protein	0.0804	0.5835	1
Schistosoma mansoni	hypothetical protein	0.0082	0.0316	0.0541
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.013	0.0683	0.1813
Loa Loa (eye worm)	tyrosyl-tRNA synthetase	0.0291	0.1912	0.1912
Trypanosoma cruzi	PAB1-binding protein , putative	0.0184	0.109	0.1564
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.1239	0.2123
Plasmodium vivax	methionine--tRNA ligase, putative	0.0471	0.3286	1
Schistosoma mansoni	smad1 5 8 and	0.0092	0.0389	0.0666
Leishmania major	hypothetical protein, conserved	0.0184	0.109	0.1564
Toxoplasma gondii	isocitrate dehydrogenase	0.013	0.0683	0.1201
Brugia malayi	latrophilin 2 splice variant baaae	0.0804	0.5835	0.5835
Mycobacterium ulcerans	methionyl-tRNA synthetase	0.0471	0.3286	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0092	0.0389	0.1183
Loa Loa (eye worm)	methionyl-tRNA synthetase	0.0471	0.3286	0.3286
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0092	0.0389	0.1183
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0372	0.2532	0.7705
Brugia malayi	Probable ClpP-like protease	0.0084	0.0328	0.0328
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.1239	0.2123
Loa Loa (eye worm)	nuclear factor I	0.0051	0.0075	0.0075
Echinococcus multilocularis	smad	0.0092	0.0389	0.1183
Loa Loa (eye worm)	RNA binding protein	0.0203	0.1239	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0328	0.0328
Brugia malayi	MH1 domain containing protein	0.0092	0.0389	0.0389
Treponema pallidum	methionyl-tRNA synthetase	0.018	0.106	1
Leishmania major	methionyl-tRNA synthetase, putative	0.0471	0.3286	1
Brugia malayi	Latrophilin receptor protein 2	0.0372	0.2532	0.2532
Loa Loa (eye worm)	TAR-binding protein	0.0203	0.1239	0.1239
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.013	0.0683	0.2078
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0372	0.2532	0.2532
Echinococcus granulosus	smad	0.0092	0.0389	0.1183
Trypanosoma brucei	methionyl-tRNA synthetase, putative	0.0471	0.3286	1
Plasmodium falciparum	methionine--tRNA ligase	0.0471	0.3286	1
Brugia malayi	hypothetical protein	0.0119	0.0592	0.0592
Wolbachia endosymbiont of Brugia malayi	leucyl-tRNA synthetase	0.018	0.106	0.2476
Loa Loa (eye worm)	hypothetical protein	0.018	0.106	0.106
Brugia malayi	RNA binding protein	0.0203	0.1239	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0075	0.0075
Toxoplasma gondii	methionyl-tRNA synthetase	0.0471	0.3286	1
Brugia malayi	MH1 domain containing protein	0.0051	0.0075	0.0075
Loa Loa (eye worm)	transcription factor SMAD2	0.1349	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.1239	0.2123
Trypanosoma cruzi	methionyl-tRNA synthetase, putative	0.0471	0.3286	1
Echinococcus multilocularis	leucyl tRNA synthetase	0.018	0.106	0.3226
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.013	0.0683	0.2078
Plasmodium falciparum	methionine--tRNA ligase, putative	0.018	0.106	0.2476
Schistosoma mansoni	smad1 5 8 and	0.0092	0.0389	0.0666
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.1177	0.8682	0.8682
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.1239	0.2123
Brugia malayi	Isocitrate dehydrogenase	0.013	0.0683	0.0683
Loa Loa (eye worm)	hypothetical protein	0.1177	0.8682	0.8682
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0372	0.2532	0.7705
Schistosoma mansoni	smad	0.0092	0.0389	0.0666
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0084	0.0328	0.0695
Toxoplasma gondii	LsmAD domain-containing protein	0.0184	0.109	0.2577
Brugia malayi	Smad1	0.0092	0.0389	0.0389
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.0107	0.0324
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0082	0.0316	0.0961
Trypanosoma brucei	PAB1-binding protein , putative	0.0184	0.109	0.1564
Echinococcus granulosus	Smad4	0.0092	0.0389	0.1183
Brugia malayi	MH2 domain containing protein	0.0092	0.0389	0.0389
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0082	0.0316	0.0961
Loa Loa (eye worm)	Smad1	0.0092	0.0389	0.0389
Brugia malayi	protein ZK524.3	0.018	0.106	0.106
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.018	0.106	0.3226
Brugia malayi	hypothetical protein	0.0184	0.109	0.109
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.018	0.106	0.3226
Plasmodium vivax	ataxin-2 like protein, putative	0.0184	0.109	0.2577
Schistosoma mansoni	hypothetical protein	0.0372	0.2532	0.4339
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA synthetase	0.0471	0.3286	1
Schistosoma mansoni	hypothetical protein	0.0372	0.2532	0.4339
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0203	0.1239	0.1239
Brugia malayi	Calcitonin receptor-like protein seb-1	0.1177	0.8682	0.8682
Echinococcus granulosus	methionine tRNA synthetase	0.0471	0.3286	1
Brugia malayi	methionyl-tRNA synthetase	0.0471	0.3286	0.3286
Schistosoma mansoni	tar DNA-binding protein	0.0203	0.1239	0.2123
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.013	0.0683	0.2078
Loa Loa (eye worm)	isocitrate dehydrogenase	0.013	0.0683	0.0683
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0372	0.2532	0.2532
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0092	0.0389	0.0666
Loa Loa (eye worm)	MH2 domain-containing protein	0.1349	1	1
Brugia malayi	N-terminal motif family protein	0.0372	0.2532	0.2532
Toxoplasma gondii	tRNA ligases class I (M) protein	0.018	0.106	0.2476
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.0107	0.0324
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.013	0.0683	0.1201
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0372	0.2532	0.7705
Schistosoma mansoni	hypothetical protein	0.0372	0.2532	0.4339
Brugia malayi	MH1 domain containing protein	0.0051	0.0075	0.0075
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.013	0.0683	0.2078
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0372	0.2532	0.7705
Schistosoma mansoni	methionine-tRNA synthetase	0.0471	0.3286	0.5632
Brugia malayi	isocitrate dehydrogenase	0.013	0.0683	0.0683
Chlamydia trachomatis	methionine--tRNA ligase	0.018	0.106	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0184	0.109	0.2577
Plasmodium vivax	methionine--tRNA ligase, putative	0.018	0.106	0.2476
Trypanosoma cruzi	PAB1-binding protein , putative	0.0184	0.109	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0372	0.2532	0.2532
Loa Loa (eye worm)	hypothetical protein	0.018	0.106	0.106
Loa Loa (eye worm)	hypothetical protein	0.0372	0.2532	0.2532
Echinococcus multilocularis	tar DNA binding protein	0.0203	0.1239	0.3769
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.013	0.0683	0.1201
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0092	0.0389	0.1183
Loa Loa (eye worm)	MH2 domain-containing protein	0.0092	0.0389	0.0389
Schistosoma mansoni	hypothetical protein	0.0372	0.2532	0.4339
Mycobacterium ulcerans	leucyl-tRNA synthetase	0.018	0.106	0.2476
Schistosoma mansoni	leucyl-tRNA synthetase	0.018	0.106	0.1817
Trichomonas vaginalis	methionine-tRNA synthetase, putative	0.0471	0.3286	0.5
Onchocerca volvulus		0.0291	0.1912	0.7552
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.018	0.106	0.5
Schistosoma mansoni	smad1 5 8 and	0.0092	0.0389	0.0666
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.1177	0.8682	0.8682
Loa Loa (eye worm)	hypothetical protein	0.0184	0.109	0.109
Loa Loa (eye worm)	hypothetical protein	0.018	0.106	0.106
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.013	0.0683	0.2078
Echinococcus multilocularis	Smad4	0.0092	0.0389	0.1183
Schistosoma mansoni	peptidase Clp (S14 family)	0.0084	0.0328	0.0562
Echinococcus granulosus	mothers against decapentaplegic 5	0.0092	0.0389	0.1183
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0372	0.2532	1
Brugia malayi	RNA recognition motif domain containing protein	0.0203	0.1239	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0804	0.5835	0.5835
Chlamydia trachomatis	leucine--tRNA ligase	0.018	0.106	1
Mycobacterium tuberculosis	Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase)	0.0471	0.3286	1
Brugia malayi	methionyl-tRNA synthetase	0.018	0.106	0.106
Echinococcus multilocularis	GPCR, family 2	0.0372	0.2532	0.7705
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.013	0.0683	0.117
Plasmodium vivax	hypothetical protein, conserved	0.018	0.106	0.2476
Plasmodium falciparum	ataxin-2 like protein, putative	0.0184	0.109	0.2577
Mycobacterium leprae	Probable methionyl-tRNA synthase MetS	0.0471	0.3286	1
Echinococcus granulosus	GPCR family 2	0.0372	0.2532	0.7705
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0084	0.0328	0.0997
Echinococcus granulosus	tar DNA binding protein	0.0203	0.1239	0.3769

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2936 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	21.3313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1529748
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 909771