TDR Targets

Basic information

Technical information

TDR Targets ID: 1856496
Name: 3-[[5-chloro-1-(3-chlorophenyl)-3-methylpyraz ol-4-yl]methylideneamino]-1-ethylthiourea
MW: 356.273 | Formula: C14H15Cl2N5S
H donors: 2 H acceptors: 1 LogP: 3.93 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCNC(=S)N/N=C/c1c(C)nn(c1Cl)c1cccc(c1)Cl
InChi: 1S/C14H15Cl2N5S/c1-3-17-14(22)19-18-8-12-9(2)20-21(13(12)16)11-6-4-5-10(15)7-11/h4-8H,3H2,1-2H3,(H2,17,19,22)/b18-8+
InChiKey: KAOPHCNTJOYWNV-QGMBQPNBSA-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

3-[[5-chloro-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]methyleneamino]-1-ethyl-thiourea
3-[[5-chloro-1-(3-chlorophenyl)-3-methyl-4-pyrazolyl]methyleneamino]-1-ethylthiourea
3-[[5-chloro-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]methylideneamino]-1-ethyl-thiourea
SMR000262168
T0516-8156
MLS000394928

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.1054	0.2086
Onchocerca volvulus		0.0035	0.4331	1
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.1054	0.2086
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.1054	0.2086
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1054	0.1054
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.1054	0.1184
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.8052	1
Schistosoma mansoni	hypothetical protein	0.0019	0.2052	0.2052
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.2052	0.2441
Echinococcus granulosus	cpg binding protein	0.0037	0.4619	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.2052	0.4301
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.1054	0.2086
Trichomonas vaginalis	helicase, putative	0.0008	0.042	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1054	0.1184
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.042	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.5275	0.6501
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.1054	0.1184
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.1054	0.1054
Brugia malayi	CXXC zinc finger family protein	0.0035	0.4331	0.5313
Schistosoma mansoni	hypothetical protein	0.0019	0.2052	0.2052
Schistosoma mansoni	coup transcription factor	0.0012	0.1054	0.1054
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0215	0.0127
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0006	0.0114	0.0114
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.1054	0.1054
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.2052	0.2441
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1054	0.1184
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0531	0.0925
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.1054	0.1054
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0114	0.0114
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.1054	0.2086
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0215	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1054	0.1184
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0215	0.0127
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.042	0.5
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.8854	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.1054	0.1054
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.5275	0.6501
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.1054	0.2229
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.1054	0.1054
Schistosoma mansoni	nuclear hormone receptor	0.0006	0.0114	0.0114
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.2052	0.4301
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0215	0.0127
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.1054	0.1184
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.1054	0.1184
Onchocerca volvulus		0.0012	0.1054	0.2229
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.1054	0.2086
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.4331	0.5313
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Brugia malayi	ecdysteroid receptor	0.0012	0.1054	0.1184
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.042	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.1054	0.2086
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0215	0.0223
Schistosoma mansoni	nuclear receptor	0.0006	0.0114	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0215	0.0127
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.8052	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.1054	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1054	0.1184
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.1054	0.1184
Echinococcus multilocularis	GPCR, family 2	0.0019	0.2052	0.4301
Loa Loa (eye worm)	hypothetical protein	0.006	0.8052	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.1054	0.2086
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1054	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2052	0.2441
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.1054	0.2229
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1054	0.1184
Schistosoma mansoni	hypothetical protein	0.0019	0.2052	0.2052
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.1054	0.1184
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0531	0.0925
Echinococcus multilocularis	cpg binding protein	0.0037	0.4619	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.1054	0.1054
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0819	0.0888
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.2052	0.4301
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.042	0.5
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0006	0.0114	0.0114
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.1054	0.2229
Brugia malayi	nuclear hormone receptor	0.0012	0.1054	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1054	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1054	0.1184
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.1054	0.1184
Schistosoma mansoni	cpg binding protein	0.0037	0.4619	0.4619
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0215	0.0127
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.1054	0.2086
Schistosoma mansoni	nuclear receptor	0.0006	0.0114	0.0114
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.1054	0.2086
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.1054	0.1054
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.1054	0.2086
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.042	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.1054	0.1184
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0215	0.0215
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.1054	0.1184
Brugia malayi	hypothetical protein	0.0006	0.0215	0.0127
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0839	0.1609
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.2052	0.2441
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0839	0.0913
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0215	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1054	0.1184
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.1054	0.1184
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1054	0.1184
Schistosoma mansoni	cpg binding protein	0.0035	0.4331	0.4331
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.1054	0.1184
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.1054	0.2086
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0839	0.1609
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1054	0.1184
Schistosoma mansoni	zinc finger protein	0.0006	0.0114	0.0114
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.1054	0.2086
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.1054	0.1184
Brugia malayi	steroid hormone receptor	0.0012	0.1054	0.1184
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.1054	0.1184
Schistosoma mansoni	nuclear receptor nhr-48	0.0006	0.0114	0.0114
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.1054	0.1184
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.2052	0.4301
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.1054	0.1184
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0006	0.0215	0.0223
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.1054	0.2086
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.1054	0.1184
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0531	0.0925
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.1054	0.2086
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.1054	0.1054
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.042	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0531	0.0531
Brugia malayi	hypothetical protein	0.0006	0.0215	0.0127
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.1054	0.2086
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.1054	0.1184
Echinococcus granulosus	GPCR family 2	0.0019	0.2052	0.4301
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.8052	1
Schistosoma mansoni	cpg binding protein	0.0037	0.4619	0.4619
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.1054	0.2086
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0531	0.0925
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.042	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.042	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.1054	0.2086
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.1054	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0215	0.0127
Brugia malayi	nuclear receptor NHR-88	0.0012	0.1054	0.1184
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.1054	0.1184
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0215	0.0127
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.042	0.5
Brugia malayi	nuclear receptor RXR	0.0006	0.0215	0.0127
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.1054	0.1184
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.1054	0.1184
Schistosoma mansoni	hypothetical protein	0.0019	0.2052	0.2052
Schistosoma mansoni	hypothetical protein	0.0041	0.5275	0.5275

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0093 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)	= 1.4125 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	18.526 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)	31.6228 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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: CHEMBL3193671

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 1856496