TDR Targets

Basic information

Technical information

TDR Targets ID: 1591917
Name: methyl 2-(4-methoxyphenyl)imidazo[2,1-b][1,3] benzothiazole-6-carboxylate
MW: 338.38 | Formula: C18H14N2O3S
H donors: 0 H acceptors: 2 LogP: 4.77 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1nc2n(c1)c1c(s2)cc(cc1)C(=O)OC
InChi: 1S/C18H14N2O3S/c1-22-13-6-3-11(4-7-13)14-10-20-15-8-5-12(17(21)23-2)9-16(15)24-18(20)19-14/h3-10H,1-2H3
InChiKey: XIMWCBONNCSEFD-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

2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolecarboxylic acid methyl ester
2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid methyl ester
ZINC00063436
TimTec1_005439
Oprea1_197733
NSC717473
A1391/0062207
NCI60_040541

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	mitochondrial DNA polymerase beta-PAK	0.031	0.1174	0.4401
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0447	0.0432
Mycobacterium ulcerans	hypothetical protein	0.0344	0.1323	1
Echinococcus multilocularis	acetylcholinesterase	0.0824	0.3374	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.0551	0.0536
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0139	0.0447	0.043
Loa Loa (eye worm)	hypothetical protein	0.0824	0.3374	0.3363
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0654	0.2646	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0051	0.0071	0.0424
Loa Loa (eye worm)	carboxylesterase	0.0139	0.0447	0.0432
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.2375	1	1
Brugia malayi	Carboxylesterase family protein	0.0824	0.3374	0.3362
Echinococcus multilocularis	para nitrobenzyl esterase	0.0139	0.0447	0.128
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0139	0.0447	0.128
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0071	0.0204
Mycobacterium ulcerans	hypothetical protein	0.0051	0.0071	0.0424
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0139	0.0447	0.128
Echinococcus multilocularis	acetylcholinesterase	0.0824	0.3374	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0139	0.0447	0.3376
Brugia malayi	hypothetical protein	0.0139	0.0447	0.043
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0057	0.004
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.0071	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.0056
Onchocerca volvulus		0.0139	0.0447	0.7833
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0071	1
Echinococcus granulosus	carboxylesterase 5A	0.0824	0.3374	1
Echinococcus multilocularis	microtubule associated protein 2	0.0724	0.2946	0.8726
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0092	0.0245	0.0865
Echinococcus multilocularis	muscleblind protein 1	0.0157	0.0522	0.1502
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0071	0.0424
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0057	0.004
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0139	0.0447	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0522	0.0507
Echinococcus granulosus	acetylcholinesterase	0.0824	0.3374	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0007	0.0051
Echinococcus granulosus	muscleblind protein	0.0157	0.0522	0.1502
Brugia malayi	Carboxylesterase family protein	0.0824	0.3374	0.3362
Echinococcus granulosus	microtubule associated protein 2	0.0724	0.2946	0.8726
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0344	0.1323	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0092	0.0245	0.0865
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.031	0.1174	0.4401
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0092	0.0245	0.0865
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0092	0.0245	0.0865
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0139	0.0447	0.043
Onchocerca volvulus		0.0139	0.0447	0.7833
Onchocerca volvulus		0.0139	0.0447	0.7833
Plasmodium vivax	acyl-CoA synthetase, putative	0.0038	0.0016	0.5
Onchocerca volvulus		0.0139	0.0447	0.7833
Brugia malayi	hypothetical protein	0.0164	0.0551	0.0534
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.0056
Trichomonas vaginalis	spcc417.12 protein, putative	0.0139	0.0447	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0038	0.0016	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0071	0.0424
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0654	0.2646	1
Schistosoma mansoni	microtubule-associated protein tau	0.0724	0.2946	0.2934
Echinococcus granulosus	acetylcholinesterase	0.0824	0.3374	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0447	0.0432
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0051	0.0071	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0139	0.0447	0.3376
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0051	0.0071	0.0424
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0139	0.0447	0.3376
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0447	0.0432
Loa Loa (eye worm)	acetylcholinesterase 1	0.0824	0.3374	0.3363
Loa Loa (eye worm)	hypothetical protein	0.0824	0.3374	0.3363
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0139	0.0447	0.128
Echinococcus granulosus	neuroligin	0.0139	0.0447	0.128
Brugia malayi	Carboxylesterase family protein	0.0139	0.0447	0.043
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0071	0.0204
Schistosoma mansoni	BC026374 protein (S09 family)	0.0139	0.0447	0.043
Brugia malayi	Carboxylesterase family protein	0.0139	0.0447	0.043
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0447	0.0432
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0139	0.0447	0.043
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0071	0.0054
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0071	1
Brugia malayi	Carboxylesterase family protein	0.0139	0.0447	0.043
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.031	0.1174	0.4401
Echinococcus granulosus	para nitrobenzyl esterase	0.0139	0.0447	0.128
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0051	0.0071	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0051	0.0071	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0057	0.0041
Leishmania major	4-coumarate:coa ligase-like protein	0.0051	0.0071	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0522	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0447	0.0432
Echinococcus multilocularis	carboxylesterase 5A	0.0824	0.3374	1
Loa Loa (eye worm)	carboxylesterase	0.0824	0.3374	0.3363
Onchocerca volvulus		0.0164	0.0551	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0007	0.0051
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0824	0.3374	0.3362
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0057	0.0118
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0051	0.0071	0.0537
Echinococcus multilocularis	neuroligin	0.0139	0.0447	0.128
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0057	0.0118
Schistosoma mansoni	acetylcholinesterase	0.0139	0.0447	0.043
Schistosoma mansoni	gliotactin	0.0139	0.0447	0.043
Brugia malayi	Carboxylesterase family protein	0.0139	0.0447	0.043
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0071	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0447	0.0432
Echinococcus multilocularis	muscleblind protein	0.0157	0.0522	0.1502
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0057	0.0118
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0038	0.0016	0.0118
Plasmodium falciparum	acyl-CoA synthetase	0.0038	0.0016	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0071	0.0054
Leishmania major	mitochondrial DNA polymerase beta	0.0654	0.2646	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0112	0.0331	0.1192
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0057	0.0118
Mycobacterium ulcerans	acyl-CoA synthetase	0.0051	0.0071	0.0424
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0139	0.0447	0.043
Toxoplasma gondii	hypothetical protein	0.0105	0.0302	1
Loa Loa (eye worm)	inositol-1	0.0039	0.0017	0.0002
Onchocerca volvulus		0.0139	0.0447	0.7833
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0007	0.0051
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0057	0.004
Loa Loa (eye worm)	carboxylesterase	0.0139	0.0447	0.0432
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0057	0.004
Brugia malayi	Muscleblind-like protein	0.0157	0.0522	0.0505
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0051	0.0071	0.0424
Brugia malayi	AMP-binding enzyme family protein	0.0051	0.0071	0.0054
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0051	0.0071	0.0424
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0036	0.0007	0.0051
Schistosoma mansoni	serine/threonine protein kinase	0.2375	1	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0017	0.0013
Echinococcus granulosus	BC026374 protein S09 family	0.0139	0.0447	0.128
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0447	0.0432
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0654	0.2646	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0139	0.0447	0.3297

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.675	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.607	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.6	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.223	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.103	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (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: CHEMBL1976536

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 1591917