TDR Targets

Basic information

Technical information

TDR Targets ID: 1554712
Name: 3,5-dichloro-N-[[4-(thiadiazol-4-yl)phenyl]me thyl]benzamide
MW: 364.249 | Formula: C16H11Cl2N3OS
H donors: 1 H acceptors: 3 LogP: 4.13 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cc(Cl)cc(c1)C(=O)NCc1ccc(cc1)c1csnn1
InChi: 1S/C16H11Cl2N3OS/c17-13-5-12(6-14(18)7-13)16(22)19-8-10-1-3-11(4-2-10)15-9-23-21-20-15/h1-7,9H,8H2,(H,19,22)
InChiKey: CVRMFKQXTJXLTE-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

3,5-dichloro-N-[[4-(4-thiadiazolyl)phenyl]methyl]benzamide
3,5-dichloro-N-[4-(thiadiazol-4-yl)benzyl]benzamide
3,5-dichloro-N-[[4-(1,2,3-thiadiazol-4-yl)phenyl]methyl]benzamide
Maybridge4_004023
MLS000860086
N1-[4-(1,2,3-thiadiazol-4-yl)benzyl]-3,5-dichlorobenzamide
SMR000460865
Oprea1_465957
ZINC01035018
IDI1_032845

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0188	0.6281	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.3173	0.5051
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0074	0.2067	0.3292
Brugia malayi	Bromodomain containing protein	0.0089	0.2598	0.3129
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0138	0.443	0.7053
Schistosoma mansoni	zinc finger protein	0.0045	0.0995	0.1584
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.3173	0.5051
Schistosoma mansoni	aldehyde dehydrogenase	0.0137	0.4391	0.6991
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0039	0.0779	0.124
Onchocerca volvulus		0.0276	0.9543	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0104	0.3173	0.5051
Brugia malayi	Cytochrome P450 family protein	0.0058	0.1469	0.1769
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0137	0.4391	0.9659
Brugia malayi	Pre-SET motif family protein	0.0035	0.0608	0.0732
Plasmodium vivax	SET domain protein, putative	0.0035	0.0608	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0608	0.0967
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0261	0.0314
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0137	0.4391	0.9659
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2806	0.3381
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0039	0.0779	0.124
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.1471	0.1772
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0104	0.3173	0.3822
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0137	0.4391	0.6991
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0261	0.0314
Giardia lamblia	Fructose-bisphosphate aldolase	0.0289	1	0.5
Schistosoma mansoni	hypothetical protein	0.0048	0.1086	0.1728
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0052	0.1249	0.1989
Trypanosoma brucei	ISWI complex protein	0.0035	0.0629	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0137	0.4391	0.6991
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0608	0.0967
Schistosoma mansoni	hypothetical protein	0.0188	0.6281	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0137	0.4391	0.9659
Loa Loa (eye worm)	cytochrome P450 family protein	0.0058	0.1469	0.1769
Schistosoma mansoni	zinc finger protein	0.0035	0.0629	0.1001
Treponema pallidum	fructose-bisphosphate aldolase	0.0289	1	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0261	0.0314
Brugia malayi	PHD-finger family protein	0.0058	0.1452	0.1749
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.4537	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5373	0.6473
Trypanosoma cruzi	ISWI complex protein	0.0035	0.0629	1
Schistosoma mansoni	bromodomain containing protein	0.0146	0.4736	0.7541
Schistosoma mansoni	hypothetical protein	0.004	0.079	0.1258
Trypanosoma cruzi	ISWI complex protein	0.0035	0.0629	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0137	0.4391	1
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.079	0.0952
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0104	0.3173	0.5051
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	1	0.5
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0261	0.0314
Echinococcus granulosus	zinc finger protein	0.0045	0.0995	0.1584
Loa Loa (eye worm)	CYP4Cod1	0.0025	0.0261	0.0314
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.1471	0.1772
Echinococcus granulosus	geminin	0.0188	0.6281	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0138	0.443	0.7053
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.4537	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	1	1
Brugia malayi	Bromodomain containing protein	0.0174	0.5739	0.6914
Echinococcus granulosus	fetal alzheimer antigen falz	0.0052	0.1249	0.1989
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0083	0.2395	0.3813
Echinococcus multilocularis	geminin	0.0188	0.6281	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2604	0.3137
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.056	0.0892
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.3173	0.5051
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0083	0.2395	0.3813
Loa Loa (eye worm)	hypothetical protein	0.004	0.079	0.0952
Loa Loa (eye worm)	hypothetical protein	0.0099	0.297	0.3578
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0243	0.8302	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0137	0.4391	1
Loa Loa (eye worm)	bromodomain containing protein	0.0041	0.0832	0.1002
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0104	0.3173	0.3822
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0052	0.1249	0.1989
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0074	0.2067	0.3292
Schistosoma mansoni	aldehyde dehydrogenase	0.0137	0.4391	0.6991
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0104	0.3173	0.5051
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	1	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0074	0.2067	0.3292
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.1471	0.1772
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0039	0.0779	0.124
Schistosoma mansoni	hypothetical protein	0.0035	0.0629	0.1001
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0104	0.3173	0.5051
Echinococcus granulosus	histone lysine methyltransferase setb	0.0074	0.2067	0.3292
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.4537	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0608	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2067	0.249
Brugia malayi	Pre-SET motif family protein	0.0243	0.8302	1
Echinococcus multilocularis	zinc finger protein	0.0045	0.0995	0.1584
Leishmania major	hypothetical protein, conserved	0.0035	0.0629	0.0891
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0039	0.0779	0.124
Loa Loa (eye worm)	PHD-finger family protein	0.0048	0.1086	0.1308
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1471	0.1772

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 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
Potency (functional)	11.6891 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

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: CHEMBL1879307

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1554712