TDR Targets

Basic information

Technical information

TDR Targets ID: 728109
Name: 4-chloro-N-(4-methoxy-2-methylphenyl)-2-methy lpyrazole-3-carboxamide
MW: 279.722 | Formula: C13H14ClN3O2
H donors: 1 H acceptors: 2 LogP: 2.37 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)C)NC(=O)c1c(Cl)cnn1C
InChi: 1S/C13H14ClN3O2/c1-8-6-9(19-3)4-5-11(8)16-13(18)12-10(14)7-15-17(12)2/h4-7H,1-3H3,(H,16,18)
InChiKey: VQDQCSYZVXCRLP-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

4-chloro-N-(4-methoxy-2-methyl-phenyl)-2-methyl-pyrazole-3-carboxamide
4-chloro-N-(4-methoxy-2-methylphenyl)-2-methyl-3-pyrazolecarboxamide
STK316240
AK-968/15604144
4-chloro-N-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazole-5-carboxamide
MLS000679503
SMR000297658
Oprea1_813963
ZINC00999893

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

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
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0073	0.0073
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0076	0.4483	0.4742
Echinococcus granulosus	dna polymerase eta	0.0023	0.0291	0.0307
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0395	0.1986
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2038	0.2038
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Brugia malayi	Bromodomain containing protein	0.0094	0.5965	0.5965
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0395	0.2666
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.1029	0.1029
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.1481	1
Schistosoma mansoni	zinc finger protein	0.0027	0.0596	0.0596
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2038	0.2038
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2038	0.2038
Entamoeba histolytica	hypothetical protein	0.0038	0.1442	0.9737
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0291	0.1963
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.1029	0.1029
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Schistosoma mansoni	hypothetical protein	0.007	0.4055	0.4055
Treponema pallidum	exodeoxyribonuclease (exoA)	0.002	0	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0605	0.064
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.1481	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0291	0.0291
Loa Loa (eye worm)	bromodomain containing protein	0.0025	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2831	0.2831
Loa Loa (eye worm)	hypothetical protein	0.0103	0.6663	0.6663
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2038	0.2038
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.1029	0.1089
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.1442	0.1442
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0291	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.1029	0.1029
Loa Loa (eye worm)	acetyltransferase	0.0144	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0291	0.0291
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.1988	0.2103
Schistosoma mansoni	hypothetical protein	0.0038	0.1442	0.1442
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0291	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0395	0.0395
Schistosoma mansoni	hypothetical protein	0.0033	0.1029	0.1029
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1029	0.1029
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0291	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0291	0.7361
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0	0.5
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0395	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0291	0.0291
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.1029	0.1029
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0291	0.0291
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Brugia malayi	PHD-finger family protein	0.0034	0.1112	0.1112
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.6663	0.6663
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0291	0.0291
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.1988	1
Leishmania major	DNA polymerase eta, putative	0.0023	0.0291	0.7361
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Echinococcus multilocularis	zinc finger protein	0.0027	0.0596	0.0596
Entamoeba histolytica	hypothetical protein	0.0038	0.1442	0.9737
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0291	0.1462
Brugia malayi	hypothetical protein	0.0025	0.0395	0.0395
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Entamoeba histolytica	hypothetical protein	0.0038	0.1442	0.9737
Echinococcus granulosus	zinc finger protein	0.0027	0.0596	0.063
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.9452	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.1481	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.5272	0.5272
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0291	0.7361
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.4055	0.4055
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.1442	0.1442
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0605	0.0605
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0144	1	1
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0073	0.0077
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0605	0.0605
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.1029	0.1089
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0291	0.0291
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.042	0.042
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0076	0.4483	0.4483
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.1988	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0291	0.0291
Entamoeba histolytica	hypothetical protein	0.0038	0.1442	0.9737
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2646	0.2646
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.1902	0.1902
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.6663	0.6663
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0291	0.7361
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2038	0.2157
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0291	0.0307
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0073	0.0073
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0073	0.0073
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0291	0.0291
Echinococcus multilocularis	GPCR, family 2	0.0033	0.1029	0.1029
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0395	0.1986
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.1029	0.1029
Schistosoma mansoni	hypothetical protein	0.0025	0.042	0.042
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0291	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0291	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.1988	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0395	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Schistosoma mansoni	bromodomain containing protein	0.008	0.483	0.483
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2038	0.2038
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2038	0.2038
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2038	0.2038
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0395	0.2666
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.6663	0.6663
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0291	0.1462
Echinococcus granulosus	GPCR family 2	0.0033	0.1029	0.1089
Schistosoma mansoni	hypothetical protein	0.0033	0.1029	0.1029
Loa Loa (eye worm)	hypothetical protein	0.007	0.4055	0.4055
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Brugia malayi	hypothetical protein	0.0038	0.1442	0.1442
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0073	0.0077
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0291	0.1963
Brugia malayi	Bromodomain containing protein	0.005	0.2409	0.2409
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.1902	0.2012
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0291	0.0291
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0144	1	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.2138	0.2138
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0291	0.0307
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.1442	0.1525
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.1988	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0073	0.0073
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0291	0.7361
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0291	0.7361
Schistosoma mansoni	hypothetical protein	0.0033	0.1029	0.1029
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0395	1
Schistosoma mansoni	hypothetical protein	0.0033	0.1029	0.1029
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0073	0.0073
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0073	0.0073
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0073	0.0073
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0291	0.7361
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2038	0.2157
Trypanosoma brucei	unspecified product	0.0023	0.0291	0.7361
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0395	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.1988	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0291	0.7361

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	2.8184 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
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: CHEMBL1517338
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 728109