TDR Targets

Basic information

Technical information

TDR Targets ID: 911666
Name: N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]- 2-fluorobenzamide
MW: 333.768 | Formula: C15H9ClFN3OS
H donors: 1 H acceptors: 3 LogP: 3.92 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1F)Nc1nnc(s1)c1ccccc1Cl
InChi: 1S/C15H9ClFN3OS/c16-11-7-3-1-5-9(11)14-19-20-15(22-14)18-13(21)10-6-2-4-8-12(10)17/h1-8H,(H,18,20,21)
InChiKey: LRFYRPVZPAESMB-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

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-benzamide
Oprea1_330703
ZINC05192825

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
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
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cpg binding protein	0.0037	0.0334	0.0289
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0068	0.0189
Echinococcus granulosus	beta catenin	0.0194	0.1947	0.3131
Echinococcus multilocularis	protein patched	0.0051	0.0481	0.0437
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0009	0.0018
Echinococcus granulosus	geminin	0.0205	0.2056	0.3311
Echinococcus multilocularis	protein pangolin J	0.013	0.1287	0.1247
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0632	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0481	0.2346
Schistosoma mansoni	hypothetical protein	0.0494	0.5023	1
Schistosoma mansoni	hypothetical protein	0.0049	0.0462	0.092
Schistosoma mansoni	cpg binding protein	0.0037	0.0334	0.0665
Brugia malayi	HMG box family protein	0.013	0.1287	0.6556
Schistosoma mansoni	hypothetical protein	0.0205	0.2056	0.4094
Plasmodium vivax	patched family protein, putative	0.0007	0.0032	0.5
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5023	0.8199
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0778
Echinococcus multilocularis	beta catenin	0.0194	0.1947	0.1909
Echinococcus granulosus	cpg binding protein	0.0037	0.0334	0.0474
Brugia malayi	Armadillo/beta-catenin-like repeat family protein	0.0194	0.1947	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0599	0.2961
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Schistosoma mansoni	hypothetical protein	0.0049	0.0462	0.092
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Echinococcus granulosus	hypothetical protein	0.0601	0.6117	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Plasmodium falciparum	lipid/sterol:H+ symporter	0.0007	0.0032	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0068	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1177	0.5981
Schistosoma mansoni	patched 1	0.0051	0.0481	0.0958
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0481	0.0716
Echinococcus multilocularis	geminin	0.0205	0.2056	0.2019
Onchocerca volvulus	Cirhin homolog	0.0193	0.1934	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.1196	0.2381
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Schistosoma mansoni	hypothetical protein	0.0049	0.0462	0.092
Loa Loa (eye worm)	HMG box family protein	0.013	0.1287	0.6556
Echinococcus granulosus	T cell transcription factor 4 long C terminal	0.013	0.1287	0.2044
Echinococcus granulosus	pangolin	0.013	0.1287	0.2044
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0314	0.1471
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0314	0.1471
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0067	0.0181
Echinococcus multilocularis	T cell transcription factor 4 long C terminal	0.013	0.1287	0.1247
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5023	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0712	0.1418
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0778
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0068	0.0036
Schistosoma mansoni	beta-catenin	0.0194	0.1947	0.3876
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.1177	1
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0555	0.0511
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0778
Schistosoma mansoni	hypothetical protein	0.0049	0.0462	0.092
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0778
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0481	0.0437
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.1177	0.1136
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0039	0.0778
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.17	0.2725
Schistosoma mansoni	hypothetical protein	0.0472	0.48	0.9555
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Echinococcus multilocularis	expressed conserved protein	0.0112	0.1103	0.1062
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.1177	0.5981
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0481	1
Schistosoma mansoni	pangolin	0.013	0.1287	0.2563
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0039	0.0778
Brugia malayi	CHE-14 protein	0.0051	0.0481	0.2346
Trichomonas vaginalis	helicase, putative	0.0008	0.0039	0.0778
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0039	0.0778
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0046	0.0092
Loa Loa (eye worm)	HMP-2 protein	0.0194	0.1947	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0039	0.0778
Echinococcus granulosus	expressed conserved protein	0.0112	0.1103	0.1741
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0481	0.0716
Onchocerca volvulus		0.0035	0.0314	0.1481
Schistosoma mansoni	cpg binding protein	0.0037	0.0334	0.0665
Schistosoma mansoni	cpg binding protein	0.0035	0.0314	0.0624
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.17	0.1662
Schistosoma mansoni	hypothetical protein	0.0205	0.2056	0.4094
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0481	0.2346
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.1177	0.1863

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.9093 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.1714 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	5.8024 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 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)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

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

ChEMBL: CHEMBL1610533
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 911666