TDR Targets

Basic information

Technical information

TDR Targets ID: 1354026
Name: 4-[3,5-dichloro-2-(difluoromethoxy)phenyl]-1, 3-thiazol-2-amine
MW: 311.135 | Formula: C10H6Cl2F2N2OS
H donors: 1 H acceptors: 1 LogP: 4.44 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: FC(Oc1c(Cl)cc(cc1c1csc(n1)N)Cl)F
InChi: 1S/C10H6Cl2F2N2OS/c11-4-1-5(7-3-18-10(15)16-7)8(6(12)2-4)17-9(13)14/h1-3,9H,(H2,15,16)
InChiKey: FFFWCZZXPIWJDM-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-[3,5-dichloro-2-(difluoromethoxy)phenyl]thiazol-2-amine
4-[3,5-dichloro-2-(difluoromethoxy)phenyl]-2-thiazolamine
[4-[3,5-dichloro-2-(difluoromethoxy)phenyl]thiazol-2-yl]amine
MLS000771951
SMR000376504
ZINC03379437

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0125	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0125	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.2652	0.2652
Schistosoma mansoni	nuclear hormone receptor	0.0125	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0125	1	1
Brugia malayi	nuclear receptor NHR-88	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1071	0.1071
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0125	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	1	1
Schistosoma mansoni	coup transcription factor	0.0125	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.2652	0.2652
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0125	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0125	1	1
Onchocerca volvulus		0.0125	1	1
Echinococcus granulosus	tar DNA binding protein	0.0076	0.2652	0.2652
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2652	0.2652
Brugia malayi	Steroid receptor seven-up type 2	0.0125	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0125	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0125	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0125	1	1
Brugia malayi	TAR-binding protein	0.0076	0.2652	0.2652
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0125	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0125	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0125	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0125	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0125	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.2652	0.2652
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1071	0.1071
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0125	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0125	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0185	0.0185
Schistosoma mansoni	RAR-like nuclear receptor	0.0125	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0066	0.1071	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0125	1	1
Brugia malayi	hypothetical protein	0.0066	0.1071	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0125	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0125	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0125	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2652	0.2652
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0125	1	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0066	0.1071	0.1071
Brugia malayi	Nuclear hormone receptor-like 1	0.0066	0.1071	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0125	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0125	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0125	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0125	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2652	0.2652
Loa Loa (eye worm)	steroid hormone receptor	0.0125	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0125	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0125	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0125	1	1
Brugia malayi	nuclear hormone receptor	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0125	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0125	1	1
Brugia malayi	hypothetical protein	0.0066	0.1071	0.1071
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0185	0.0185
Schistosoma mansoni	retinoic acid receptor RXR	0.0125	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0125	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0066	0.1071	0.1071
Loa Loa (eye worm)	RNA binding protein	0.0076	0.2652	0.2652
Loa Loa (eye worm)	hypothetical protein	0.0125	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0125	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0066	0.1071	0.1071
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0185	0.0185
Echinococcus granulosus	FTZ F1 alpha	0.0125	1	1
Brugia malayi	RNA binding protein	0.0076	0.2652	0.2652
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0125	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0125	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2652	0.2652
Brugia malayi	steroid hormone receptor	0.0125	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0125	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0125	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1071	0.1071
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0066	0.1071	0.1071
Echinococcus multilocularis	ecdysone induced protein 78C	0.0125	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0125	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0125	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0125	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0125	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0125	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0125	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1071	0.1071
Brugia malayi	Nuclear hormone receptor-like 1	0.0066	0.1071	0.1071
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.2652	0.2652
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0125	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0125	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.2652	0.2652
Brugia malayi	nuclear receptor RXR	0.0066	0.1071	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1071	0.1071

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: Confirmation Assay for Identification of Novel General Anesthetics. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2323, AID2385, AID485281]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 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)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1462254

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 1354026