TDR Targets

Basic information

Technical information

TDR Targets ID: 1267035
Name: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzot hiazol-2-yl)-2-(4-chlorophenyl)acetamide
MW: 362.917 | Formula: C19H23ClN2OS
H donors: 1 H acceptors: 2 LogP: 5.39 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1nc2c(s1)CC(CC2)C(C)(C)C)Cc1ccc(cc1)Cl
InChi: 1S/C19H23ClN2OS/c1-19(2,3)13-6-9-15-16(11-13)24-18(21-15)22-17(23)10-12-4-7-14(20)8-5-12/h4-5,7-8,13H,6,9-11H2,1-3H3,(H,21,22,23)
InChiKey: IJZLULMDADBXSG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethanamide
D345-0650
NCGC00119233-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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 granulosus	BC026374 protein S09 family	0.0572	0.1582	0.1582
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0572	0.1582	0.1582
Loa Loa (eye worm)	hypothetical protein	0.0572	0.1582	0.1539
Schistosoma mansoni	acetylcholinesterase	0.0572	0.1582	0.1582
Echinococcus granulosus	para nitrobenzyl esterase	0.0572	0.1582	0.1582
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0572	0.1582	0.5
Loa Loa (eye worm)	hypothetical protein	0.3384	1	1
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0572	0.1582	0.5
Brugia malayi	Carboxylesterase family protein	0.0572	0.1582	0.1582
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.3384	1	1
Brugia malayi	Carboxylesterase family protein	0.0572	0.1582	0.1582
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0572	0.1582	0.1582
Loa Loa (eye worm)	acetylcholinesterase 1	0.3384	1	1
Loa Loa (eye worm)	carboxylesterase	0.0572	0.1582	0.1539
Onchocerca volvulus		0.0572	0.1582	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0572	0.1582	0.1539
Echinococcus multilocularis	acetylcholinesterase	0.3384	1	1
Loa Loa (eye worm)	hypothetical protein	0.0572	0.1582	0.1539
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0572	0.1582	0.1582
Brugia malayi	Carboxylesterase family protein	0.3384	1	1
Echinococcus granulosus	acetylcholinesterase	0.3384	1	1
Echinococcus granulosus	carboxylesterase 5A	0.3384	1	1
Loa Loa (eye worm)	hypothetical protein	0.3384	1	1
Onchocerca volvulus		0.0572	0.1582	0.5
Onchocerca volvulus		0.0572	0.1582	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0572	0.1582	0.1582
Loa Loa (eye worm)	carboxylesterase	0.0572	0.1582	0.1539
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0572	0.1582	0.5
Brugia malayi	hypothetical protein	0.0572	0.1582	0.1582
Loa Loa (eye worm)	carboxylesterase	0.3384	1	1
Onchocerca volvulus		0.0572	0.1582	0.5
Schistosoma mansoni	gliotactin	0.0572	0.1582	0.1582
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0572	0.1582	0.1582
Mycobacterium ulcerans	carboxylesterase, LipT	0.0572	0.1582	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.3384	1	1
Echinococcus granulosus	neuroligin	0.0572	0.1582	0.1582
Loa Loa (eye worm)	hypothetical protein	0.0572	0.1582	0.1539
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0572	0.1582	0.1582
Loa Loa (eye worm)	hypothetical protein	0.0572	0.1582	0.1539
Schistosoma mansoni	BC026374 protein (S09 family)	0.0572	0.1582	0.1582
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0572	0.1582	0.1539
Trichomonas vaginalis	spcc417.12 protein, putative	0.0572	0.1582	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0572	0.1582	0.1582
Onchocerca volvulus		0.0572	0.1582	0.5
Brugia malayi	Carboxylesterase family protein	0.0572	0.1582	0.1582
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0572	0.1582	0.1582
Echinococcus multilocularis	acetylcholinesterase	0.3384	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.005	0.005
Echinococcus multilocularis	neuroligin	0.0572	0.1582	0.1582
Echinococcus granulosus	acetylcholinesterase	0.3384	1	1
Loa Loa (eye worm)	hypothetical protein	0.0572	0.1582	0.1539
Entamoeba histolytica	hypothetical protein	0.0043	0	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0572	0.1582	0.5
Brugia malayi	Carboxylesterase family protein	0.0572	0.1582	0.1582

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.3225 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)	22.3872 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)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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: CHEMBL1378589

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 1267035