TDR Targets

Basic information

Technical information

TDR Targets ID: 427955
Name: N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidi n-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
MW: 412.509 | Formula: C20H24N6O2S
H donors: 1 H acceptors: 4 LogP: 3.1 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1sc2c(n1)c(ccc2)Oc1ncnc(c1)N1CCN(CC1)C(C)C
InChi: 1S/C20H24N6O2S/c1-13(2)25-7-9-26(10-8-25)17-11-18(22-12-21-17)28-15-5-4-6-16-19(15)24-20(29-16)23-14(3)27/h4-6,11-13H,7-10H2,1-3H3,(H,23,24,27)
InChiKey: YTCGMVBBPLRWSC-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-[4-[6-(4-isopropylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
N-[4-[[6-(4-isopropyl-1-piperazinyl)-4-pyrimidinyl]oxy]-1,3-benzothiazol-2-yl]acetamide
N-[4-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]ethanamide
N-[4-[6-(4-isopropylpiperazino)pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Vanilloid receptor	Starlite/ChEMBL	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0025	0.206	0.5
Echinococcus multilocularis	cysteine protease	0.0017	0.1079	0.2187
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.5518	0.5518
Plasmodium vivax	vivapain-2	0.0017	0.1079	1
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0025	0.206	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Loa Loa (eye worm)	cytochrome P450	0.0025	0.206	0.1778
Trypanosoma cruzi	cytochrome P450, putative	0.0086	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.1079	0.0762
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0025	0.206	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.7333	0.7333
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.1079	0.2187
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.4933	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Leishmania major	cathepsin L-like protease	0.0065	0.7333	0.701
Echinococcus multilocularis	cysteine protease	0.0017	0.1079	0.2187
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Onchocerca volvulus		0.0017	0.1079	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0025	0.206	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.1079	0.1079
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.4933	0.4933
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0025	0.206	0.5
Loa Loa (eye worm)	ctsf protein	0.0017	0.1079	0.0762
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.1079	1
Loa Loa (eye worm)	fibroinase	0.0017	0.1079	0.0762
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Mycobacterium leprae	putative cytochrome p450	0.0025	0.206	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Onchocerca volvulus		0.0017	0.1079	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0086	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.1079	1
Echinococcus multilocularis		0.0025	0.206	0.4177
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Onchocerca volvulus		0.0017	0.1079	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Schistosoma mansoni	hypothetical protein	0.0025	0.206	0.4177
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.1079	0.2187
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0025	0.206	0.206
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0025	0.206	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.206	0.1778
Loa Loa (eye worm)	hypothetical protein	0.0017	0.1079	0.0762
Plasmodium vivax	vivapain-2	0.0017	0.1079	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.1079	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Onchocerca volvulus		0.0017	0.1079	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.6793	0.6679
Brugia malayi	Cathepsin L-like precursor	0.0017	0.1079	0.1079
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0025	0.206	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.1079	1
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0343	0.0343
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0025	0.206	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0025	0.206	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0025	0.206	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.1079	0.2187
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.4933	0.4753
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0343	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0011	0.0343	0.0343
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0025	0.206	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0025	0.206	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4933	1
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0025	0.206	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0025	0.206	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.4933	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Brugia malayi	Cathepsin L-like precursor	0.0017	0.1079	0.1079
Leishmania major	cytochrome p450-like protein	0.0086	1	1
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0025	0.206	0.5
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0025	0.206	0.206
Trypanosoma cruzi	cytochrome P450, putative	0.0086	1	1
Echinococcus granulosus	cathepsin l1	0.0011	0.0343	0.0696
Schistosoma mansoni	cathepsin F (C01 family)	0.0011	0.0343	0.0696
Brugia malayi	Cathepsin L-like precursor	0.0017	0.1079	0.1079
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Leishmania major	cathepsin L-like protease	0.0065	0.7333	0.701
Onchocerca volvulus		0.0017	0.1079	1
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0025	0.206	0.11
Loa Loa (eye worm)	cytochrome P450 family protein	0.0086	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.1079	0.2187
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.1079	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.1079	0.2187
Brugia malayi	cathepsin L-like precursor	0.0011	0.0343	0.0343
Mycobacterium leprae	Conserved hypothetical protein	0.0025	0.206	0.5
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.6597	0.6597
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0025	0.206	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0011	0.0343	0.0343
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0025	0.206	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.1079	0.1079
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.7333	0.7333
Onchocerca volvulus		0.0017	0.1079	1
Brugia malayi	Cytochrome P450 family protein	0.0086	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.4933	1
Leishmania major	cytochrome p450-like protein	0.0025	0.206	0.11
Loa Loa (eye worm)	cysteine protease	0.0017	0.1079	0.0762
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Brugia malayi	Cathepsin L-like precursor	0.0017	0.1079	0.1079
Echinococcus granulosus	cathepsin l1	0.0017	0.1079	0.2187
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.1079	1
Trypanosoma brucei	cytochrome P450, putative	0.0086	1	1
Brugia malayi	Cytochrome P450 family protein	0.0025	0.206	0.206
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.1079	0.2187
Onchocerca volvulus		0.0017	0.1079	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0086	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.1079	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4933	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0011	0.0343	0.3182
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4933	1
Leishmania major	cytochrome p450-like protein	0.0025	0.206	0.11
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.1079	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0025	0.206	0.206
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0065	0.7333	0.7333
Schistosoma mansoni	cytochrome P450	0.0025	0.206	0.4177
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.1079	0.0762
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0025	0.206	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.1079	0.2187
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.1079	0.2187
Loa Loa (eye worm)	CYP4Cod1	0.0086	1	1
Entamoeba histolytica	cysteine protease, putative	0.0017	0.1079	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0065	0.7333	0.7333
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0025	0.206	0.5
Leishmania major	cathepsin L-like protease	0.0065	0.7333	0.701
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.4933	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.1079	1
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0025	0.206	0.5
Brugia malayi	Cathepsin L-like precursor	0.0017	0.1079	0.1079
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0025	0.206	0.5
Echinococcus granulosus	cytochrome P450 2K1	0.0025	0.206	0.4177
Brugia malayi	Cathepsin L-like precursor	0.0017	0.1079	0.1079
Brugia malayi	Cytochrome P450 family protein	0.0025	0.206	0.206
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.1079	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.1079	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0025	0.206	0.206
Brugia malayi	cytochrome P450	0.0025	0.206	0.206
Trypanosoma cruzi	cruzipain precursor, putative	0.0065	0.7333	0.7333
Entamoeba histolytica	cysteine proteinase, putative	0.0011	0.0343	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.1079	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1300 nM	Inhibition of rat TRPV1 expressed in CHO cells assessed as capsaicin-induced Ca2+ influx	ChEMBL.	17585751
IC50 (binding)	= 1300 nM	Inhibition of rat TRPV1 expressed in CHO cells assessed as capsaicin-induced Ca2+ influx	ChEMBL.	17585751
IC50 (binding)	> 4000 nM	Inhibition of rat TRPV1 expressed in CHO cells assessed as acid-induced Ca2+ influx	ChEMBL.	17585751
IC50 (binding)	> 4000 nM	Inhibition of rat TRPV1 expressed in CHO cells assessed as acid-induced Ca2+ influx	ChEMBL.	17585751
Solubility	>= 200 ug ml-1	Solubility in 0.01N HCl	ChEMBL.	17585751

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

Search by CAS
ChEMBL: CHEMBL227207
PubChem: 16748469

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 427955