TDR Targets

Basic information

Technical information

TDR Targets ID: 862026
Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4-meth ylphenyl)imidazo[2,1-b][1,3]benzothiazole-6-c arboxamide
MW: 461.622 | Formula: C26H31N5OS
H donors: 1 H acceptors: 2 LogP: 5.17 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC1)CCCNC(=O)c1ccc2c(c1)sc1n2cc(n1)c1ccc(cc1)C
InChi: 1S/C26H31N5OS/c1-3-29-13-15-30(16-14-29)12-4-11-27-25(32)21-9-10-23-24(17-21)33-26-28-22(18-31(23)26)20-7-5-19(2)6-8-20/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,32)
InChiKey: NNUWDAANJYYOGA-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-[3-(4-ethyl-1-piperazinyl)propyl]-2-(4-methylphenyl)-6-imidazo[2,1-b][1,3]benzothiazolecarboxamide
E235-0222
NCGC00121703-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	RNA recognition motif domain containing 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
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Loa Loa (eye worm)	RNA recognition domain-containing protein 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
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
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	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 mansoni	tar DNA-binding protein	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
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	TAR DNA-binding protein 43, putative	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
Brugia malayi	RNA 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 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Schistosoma mansoni	hypothetical protein	0.00280199	0.161386	0.145434
Toxoplasma gondii	P-type ATPase4, putative	0.000844245	0.0186663	0.118749
Loa Loa (eye worm)	hypothetical protein	0.00568181	0.371325	0.360857
Echinococcus granulosus	neuroendocrine convertase 2	0.00892284	0.607596	0.600132
Loa Loa (eye worm)	hypothetical protein	0.000882074	0.0214241	0.00513106
Trypanosoma brucei	calcium-transporting ATPase, putative	0.000981439	0.0286678	0.308352
Schistosoma mansoni	calcium-transporting atpase 2 (atpase 2)	0.00172632	0.0829696	0.0655264
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.000844245	0.0186663	0.00232739
Echinococcus multilocularis	Ca2+ transporting ATPase plasma membrane	0.000981439	0.0286678	0.0128708
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.00186351	0.0929711	0.0778693
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.00172632	0.0829696	0.0655264
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Leishmania major	P-type ATPase, putative	0.000981439	0.0286678	0.445823
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Echinococcus multilocularis	neuroendocrine convertase 2	0.00892284	0.607596	0.757887
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.00172632	0.0829696	1
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	0.000844245	0.0186663	0.0534049
Trichomonas vaginalis	cation-transporting ATPase, putative	0.00147026	0.0643032	0.109771
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.000844245	0.0186663	0.00232739
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.000844245	0.0186663	1
Schistosoma mansoni	ATPase	0.00147026	0.0643032	0.046505
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.00280199	0.161386	0.275498
Echinococcus granulosus	Ca2 transporting ATPase plasma membrane	0.000981439	0.0286678	0.0101917
Echinococcus granulosus	Furin 1	0.00324103	0.193392	0.17805
Loa Loa (eye worm)	hypothetical protein	0.00147026	0.0643032	0.0487241
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Trichomonas vaginalis	hypothetical protein	0.00280199	0.161386	0.275498
Loa Loa (eye worm)	hypothetical protein	0.000844245	0.0186663	0.00232739
Leishmania major	calcium-transporting ATPase, putative	0.000981439	0.0286678	0.445823
Brugia malayi	calcium ATPase	0.000950036	0.0263785	0.010168
Trypanosoma cruzi	calcium-transporting ATPase, putative	0.000981439	0.0286678	0.445823
Schistosoma mansoni	furin-1 (S08 family)	0.00612085	0.403331	0.391982
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.0143056	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.00147026	0.0643032	0.046505
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.00324103	0.193392	0.330136
Trichomonas vaginalis	cation-transporting ATPase, putative	0.00147026	0.0643032	0.109771
Echinococcus multilocularis	calcium transporting atpase	0.00186351	0.0929711	0.0956218
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Trypanosoma cruzi	calcium-translocating P-type ATPase, putative	0.00143886	0.062014	0.964399
Loa Loa (eye worm)	proprotein convertase 2	0.00324103	0.193392	0.179963
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.000844245	0.0186663	0.0318649
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0086238	0.585796	0.577917
Plasmodium falciparum	calcium-transporting ATPase	0.00172632	0.0829696	0.5
Leishmania major	calcium-translocating P-type ATPase	0.00147026	0.0643032	1
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Loa Loa (eye worm)	hypothetical protein	0.0143056	1	1
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.00324103	0.193392	0.17805
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.00147026	0.0643032	0.0587296
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.00172632	0.0829696	0.5
Brugia malayi	Probable calcium-transporting ATPase KIAA0703	0.00172632	0.0829696	0.0677013
Plasmodium vivax	calcium-transporting ATPase, putative	0.00172632	0.0829696	0.5
Giardia lamblia	High cysteine membrane protein Group 2	0.00538276	0.349525	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.00324103	0.193392	0.330136
Brugia malayi	Na,K-ATPase alpha subunit	0.000844245	0.0186663	0.00232739
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.000844245	0.0186663	0.00232739
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.00324103	0.193392	0.330136
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.00186351	0.0929711	0.0757181
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.00147026	0.0643032	1
Echinococcus multilocularis	Furin 1	0.00324103	0.193392	0.224853
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0086238	0.585796	1
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.000981439	0.0286678	0.0101917
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.000812842	0.0163771	0.877358
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.00280199	0.161386	0.275498
Brugia malayi	proprotein convertase 2	0.00892284	0.607596	0.601063
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.00324103	0.193392	0.330136
Onchocerca volvulus		0.000588191	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.00172632	0.0829696	0.082751
Schistosoma mansoni	plasma membrane calcium-transporting atpase	0.000981439	0.0286678	0.0101917
Loa Loa (eye worm)	hypothetical protein	0.000981439	0.0286678	0.0124954
Brugia malayi	endoprotease bli-4 precursor	0.0143056	1	1
Schistosoma mansoni	ATPase	0.00147026	0.0643032	0.046505
Leishmania major	calcium motive p-type ATPase, putative	0.000981439	0.0286678	0.445823
Loa Loa (eye worm)	calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.00186351	0.0929711	0.0778693
Plasmodium vivax	P-type ATPase4, putative	0.00172632	0.0829696	0.5
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0086238	0.585796	0.729832
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Brugia malayi	neuroendocrine convertase 1 precursor	0.00892284	0.607596	0.601063
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.000981439	0.0286678	0.445823
Echinococcus multilocularis	plasma membrane calcium transporting ATPase	0.000981439	0.0286678	0.0128708
Echinococcus multilocularis		0.0115036	0.795735	1
Echinococcus granulosus	furin	0.0143056	1	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.00324103	0.193392	0.330136
Schistosoma mansoni	calcium-transporting atpase sarcoplasmic/endoplasmic reticulum type (calcium pump)	0.00186351	0.0929711	0.0757181
Trypanosoma brucei	calcium-translocating P-type ATPase	0.00186351	0.0929711	1
Loa Loa (eye worm)	endoprotease bli-4	0.0143056	1	1
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.000981439	0.0286678	0.255815
Trichomonas vaginalis	conserved hypothetical protein	0.00280199	0.161386	0.275498
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.000981439	0.0286678	0.445823
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.000844245	0.0186663	0.0318649
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.00280199	0.161386	0.275498
Mycobacterium tuberculosis	Probable metal cation transporter P-type ATPase A CtpF	0.000882074	0.0214241	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.00324103	0.193392	0.330136
Brugia malayi	celfurPC protein	0.0115036	0.795735	0.792334
Brugia malayi	Membrane calcium atpase protein 3	0.000981439	0.0286678	0.0124954
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.000981439	0.0286678	0.308352
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.000588191	0	0.5
Giardia lamblia	Furin precursor putative serine protease	0.00280199	0.161386	0.461729
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0086238	0.585796	1
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.00172632	0.0829696	1
Echinococcus granulosus	plasma membrane calcium transporting ATPase	0.000981439	0.0286678	0.0101917
Echinococcus granulosus	calcium transporting atpase	0.00186351	0.0929711	0.0757181

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	1.1378 uM	ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye	ChEMBL.	20485428
EC50 (functional)	= 1.14 uM	Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye	Saint Jude.	20485428
EC50 (functional)	= 1.89 uM	Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye	Saint Jude.	20485428
EC50 (functional)	1.8936 uM	ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye	ChEMBL.	20485428
Percent growth inhibition (functional)	= 100.4 %	Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye	Saint Jude.	20485428
Percent growth inhibition (functional)	= 110.1 %	Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye	Saint Jude.	20485428
Potency (functional)	1.4125 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 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)	7.0795 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: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	20485428
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: CHEMBL591857
Search by Saint Jude

Bibliographic References

No literature references available for this target.

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Detailed information for compound 862026