TDR Targets

Basic information

Technical information

TDR Targets ID: 1279758
Name: 3-methyl-N-[5-(methyl-(phenylmethyl)sulfamoyl )-1,3,4-thiadiazol-2-yl]benzamide
MW: 402.491 | Formula: C18H18N4O3S2
H donors: 1 H acceptors: 5 LogP: 2.88 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)C(=O)Nc1nnc(s1)S(=O)(=O)N(Cc1ccccc1)C
InChi: 1S/C18H18N4O3S2/c1-13-7-6-10-15(11-13)16(23)19-17-20-21-18(26-17)27(24,25)22(2)12-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,20,23)
InChiKey: UCWLODWTPOMDOL-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-(benzyl-methyl-sulfamoyl)-1,3,4-thiadiazol-2-yl]-3-methyl-benzamide
NCGC00120896-01
E157-7814

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	relaxin/insulin-like family peptide receptor 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504

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
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0371	0.0835	0.3608
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0445	0.1208	0.6526
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0371	0.0835	0.198
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.2187	1	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0445	0.1208	0.3831
Trichomonas vaginalis	conserved hypothetical protein	0.028	0.0373	0.1017
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0858	0.3291	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0533	0.1653	0.524
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0445	0.1208	0.3831
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0445	0.1208	0.6526
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0445	0.1208	0.3671
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0445	0.1208	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0745	0.2721	0.8269
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0445	0.1208	0.6526
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0858	0.3291	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0445	0.1208	0.1003
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0286	0.0403	0.1223
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0445	0.1208	0.3671
Trypanosoma cruzi	target of rapamycin kinase 3	0.0445	0.1208	0.3671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Loa Loa (eye worm)	hypothetical protein	0.028	0.0373	0.1017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Loa Loa (eye worm)	phosphatidylinositol 3	0.0533	0.1653	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0445	0.1208	0.1003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0445	0.1208	0.3831
Trichomonas vaginalis	PIKK family atypical protein kinase	0.028	0.0373	0.1017
Giardia lamblia	GTOR	0.0445	0.1208	0.5
Echinococcus multilocularis	serine protein kinase ATM	0.0371	0.0835	0.0621
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.3168	0.9597
Loa Loa (eye worm)	phosphatidylinositol 3	0.0445	0.1208	0.6879
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0445	0.1208	0.3199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0371	0.0835	0.2537
Toxoplasma gondii	FATC domain-containing protein	0.0371	0.0835	0.5528
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.3168	0.3008
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0858	0.3291	0.3134
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.3168	0.3008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0533	0.1653	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0445	0.1208	0.3831
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0858	0.3291	0.3134
Echinococcus granulosus	serine protein kinase ATM	0.0371	0.0835	0.0621
Loa Loa (eye worm)	hypothetical protein	0.0286	0.0403	0.1222
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0445	0.1208	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0251	0.0229	0.0695
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0371	0.0835	0.4258
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0445	0.1208	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0533	0.1653	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0445	0.1208	0.6526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0445	0.1208	0.3199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Entamoeba histolytica	hypothetical protein	0.0371	0.0835	0.6189
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0858	0.3291	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0339	0.0673	0.4536
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0339	0.0673	0.3121
Leishmania major	hypothetical protein, conserved	0.0831	0.3154	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0445	0.1208	0.6879
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0371	0.0835	0.198
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0858	0.3291	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): 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: CHEMBL1394623

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 1279758