TDR Targets

Basic information

Technical information

TDR Targets ID: 1767078
Name: 2-(4-phenylpiperazin-1-yl)-N-(4,5,6,7-tetrahy dro-1,3-benzothiazol-2-yl)acetamide
MW: 356.485 | Formula: C19H24N4OS
H donors: 1 H acceptors: 2 LogP: 3.2 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1nc2c(s1)CCCC2)CN1CCN(CC1)c1ccccc1
InChi: 1S/C19H24N4OS/c24-18(21-19-20-16-8-4-5-9-17(16)25-19)14-22-10-12-23(13-11-22)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H,20,21,24)
InChiKey: LLNAOMZWWWHDRJ-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

2-(4-phenyl-1-piperazinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
2-(4-phenylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	solute carrier family 27 (fatty acid transporter), member 1	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 27 (fatty acid transporter), member 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Echinococcus granulosus	long chain fatty acid transport protein 4	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania infantum	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Candida albicans	similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania mexicana	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania major	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Schistosoma japonicum	ko:K08745 solute carrier family 27 (fatty acid transporter), member 1, putative	Get druggable targets OG5_127399	All targets in OG5_127399
Schistosoma japonicum	Long-chain fatty acid transport protein 4, putative	Get druggable targets OG5_127399	All targets in OG5_127399
Trypanosoma cruzi	fatty acid transporter protein-like, putative	Get druggable targets OG5_127399	All targets in OG5_127399
Leishmania donovani	fatty acid transporter protein-like protein	Get druggable targets OG5_127399	All targets in OG5_127399
Schistosoma mansoni	FFA transport protein	Get druggable targets OG5_127399	All targets in OG5_127399
Echinococcus multilocularis	long chain fatty acid transport protein 4	Get druggable targets OG5_127399	All targets in OG5_127399
Trypanosoma cruzi	fatty acid transporter protein-like, putative	Get druggable targets OG5_127399	All targets in OG5_127399
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	Get druggable targets OG5_127399	All targets in OG5_127399
Loa Loa (eye worm)	AMP-binding enzyme family protein	Get druggable targets OG5_127399	All targets in OG5_127399
Brugia malayi	AMP-binding enzyme family protein	Get druggable targets OG5_127399	All targets in OG5_127399
Mycobacterium leprae	possible long-chain acyl-CoA synthase	Get druggable targets OG5_127399	All targets in OG5_127399
Candida albicans	similar to S. cerevisiae FAT1 (YBR041W) fatty acid transporter and very long-chain fatty acyl-CoA synthetase	Get druggable targets OG5_127399	All targets in OG5_127399

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	solute carrier family 27 (fatty acid transporter), member 1	646 aa	552 aa	22.8 %
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	solute carrier family 27 (fatty acid transporter), member 1	646 aa	519 aa	20.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.9625	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.063	0.0492
Echinococcus granulosus	dna polymerase eta	0.0065	0.0832	0.0957
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.9625	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0309	1	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0456	0.0293
Echinococcus multilocularis	dna polymerase eta	0.0065	0.0832	0.0957
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.9625	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0299	0.9625	0.5
Echinococcus granulosus	long chain fatty acid transport protein 4	0.0224	0.6796	1
Schistosoma mansoni	hypothetical protein	0.0296	0.9536	1
Brugia malayi	Ets-domain containing protein	0.0074	0.1154	0.1095
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.9625	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0192	0.5606	0.8196
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0192	0.5606	0.8196
Brugia malayi	jmjC domain containing protein	0.006	0.063	0.0492
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0224	0.6796	0.6796
Echinococcus multilocularis	lysine specific demethylase 5A	0.006	0.063	0.0649
Loa Loa (eye worm)	MBCTL1	0.0055	0.0456	0.0293
Brugia malayi	Ets-domain containing protein	0.0074	0.1154	0.1095
Toxoplasma gondii	hypothetical protein	0.005	0.0241	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	1	1
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0231	0.7069	0.6368
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0221	0.6686	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.3871	0.3871
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0456	0.0386
Mycobacterium ulcerans	glutaminase	0.0279	0.8896	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0065	0.0832	0.0832
Schistosoma mansoni	FFA transport protein	0.0224	0.6796	0.7064
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.9625	1
Loa Loa (eye worm)	glutaminase	0.0279	0.8896	1
Schistosoma mansoni	ets-related	0.0225	0.6835	0.7106
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.9625	1
Schistosoma mansoni	DNA polymerase eta	0.0065	0.0832	0.0676
Loa Loa (eye worm)	glutaminase 2	0.0279	0.8896	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0832	0.0725
Leishmania major	fatty acid transporter protein-like protein	0.0221	0.6686	0.6385
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0456	0.0293
Trypanosoma brucei	DNA polymerase eta, putative	0.0065	0.0832	0.0832
Schistosoma mansoni	gabp alpha	0.0074	0.1154	0.102
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.9625	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.006	0.063	0.0649
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0299	0.9625	0.5
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.006	0.063	0.0649
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.3871	0.3871
Echinococcus granulosus	lysine specific demethylase 5A	0.006	0.063	0.0649
Schistosoma mansoni	jumonji domain containing protein	0.006	0.063	0.0459
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.063	0.0459
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0074	0.1154	0.1095
Brugia malayi	glutaminase DH11.1	0.0279	0.8896	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0231	0.7069	0.7898
Echinococcus multilocularis	GA binding protein alpha chain	0.0074	0.1154	0.1444
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0456	0.0386
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0299	0.9625	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	1	1
Mycobacterium ulcerans	hypothetical protein	0.0163	0.4493	0.1249
Brugia malayi	jmjC domain containing protein	0.006	0.063	0.0492
Brugia malayi	AMP-binding enzyme family protein	0.0231	0.7069	0.7898
Loa Loa (eye worm)	fli-1 protein	0.0225	0.6835	0.7629
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0049	0.0202	0.5
Schistosoma mansoni	glutaminase	0.0279	0.8896	0.9315
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.3871	0.3314
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.4493	0.2227
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0456	0.0386
Brugia malayi	ImpB/MucB/SamB family protein	0.0065	0.0832	0.0725
Echinococcus multilocularis	long chain fatty acid transport protein 4	0.0224	0.6796	1
Echinococcus granulosus	GA binding protein alpha chain	0.0074	0.1154	0.1444
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0456	0.0386
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0358	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0749	0.063
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0456	0.0273
Onchocerca volvulus		0.0049	0.0202	0.5
Trypanosoma cruzi	fatty acid transporter protein-like, putative	0.0224	0.6796	0.6796
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0299	0.9625	0.5
Brugia malayi	Fli-1 protein	0.0225	0.6835	0.7629
Giardia lamblia	Fructose-bisphosphate aldolase	0.0299	0.9625	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.006	0.063	0.0459
Mycobacterium leprae	possible long-chain acyl-CoA synthase	0.0221	0.6686	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.28 uM	Inhibition of human FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis	ChEMBL.	23528296
IC50 (binding)	= 9 uM	Inhibition of mouse FLAG-tagged FATP1-mediated [1-14C] oleic acid conversion to [1-14C] oleoyl-CoA after 20 mins by scintillation counting analysis	ChEMBL.	23528296

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: CHEMBL2377760

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1767078