TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.405 | Formula: C19H24N2O4
H donors: 0 H acceptors: 2 LogP: 2.8 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@@H]1CCN(C[C@@H]1Cc1ccc(cc1)OC)C(=O)c1onc(c1)C
InChi: 1S/C19H24N2O4/c1-13-10-18(25-20-13)19(22)21-9-8-17(24-3)15(12-21)11-14-4-6-16(23-2)7-5-14/h4-7,10,15,17H,8-9,11-12H2,1-3H3/t15-,17+/m0/s1
InChiKey: MAKCNSDWNIRXHO-DOTOQJQBSA-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

No synonyms found for this compound

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 cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0077	0.0677	0.1096
Loa Loa (eye worm)	cathepsin B	0.0171	0.1844	0.2984
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2276	0.3684
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0215	0.2393	0.3872
Echinococcus granulosus	geminin	0.0172	0.1859	0.2805
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0518	0.6179	1
Echinococcus multilocularis	cathepsin b	0.0518	0.6179	0.6111
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0077	0.0677	0.3673
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0518	0.6179	1
Entamoeba histolytica	calpain large subunit domain III containing protein	0.0054	0.0386	1
Schistosoma mansoni	Mername-AA248 (C02 family)	0.0077	0.0677	0.1096
Brugia malayi	cathepsin B-like cysteine proteinase	0.0518	0.6179	1
Echinococcus multilocularis	cathepsin b	0.0518	0.6179	0.6111
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0518	0.6179	1
Echinococcus granulosus	cathepsin b	0.0518	0.6179	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0175	0.0284
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0518	0.6179	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0175	0.4542
Loa Loa (eye worm)	calpain family protein 1	0.0205	0.2276	0.3684
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0175	0.0951
Loa Loa (eye worm)	calpain family protein 1	0.0151	0.1599	0.2588
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0281	0.0456
Echinococcus multilocularis	geminin	0.0172	0.1859	0.1714
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0077	0.0677	0.1096
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0077	0.0677	0.1096
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0215	0.2393	0.3693
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0077	0.0677	0.1096
Echinococcus granulosus	calpain 5	0.0077	0.0677	0.0836
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0281	0.0177
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0033	0.0127	0.5
Trypanosoma brucei	calpain-like protein, putative	0.0077	0.0677	0.3673
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0077	0.0677	0.1096
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0175	0.0284
Echinococcus multilocularis	calpain 7 (C02 family)	0.0077	0.0677	0.0511
Brugia malayi	calpain family protein 1	0.0205	0.2276	0.3684
Echinococcus multilocularis	hypothetical protein	0.0077	0.0677	0.0511
Trypanosoma brucei	kinesin, putative	0.0054	0.0386	0.2094
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0281	0.0177
Echinococcus multilocularis	calpain	0.0077	0.0677	0.0511
Schistosoma mansoni	calpain (C02 family)	0.0077	0.0677	0.1096
Brugia malayi	calpain 5	0.0054	0.0386	0.0625
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0175	0.0951
Trypanosoma cruzi	kinesin, putative	0.0054	0.0386	0.0625
Toxoplasma gondii	cathepsin B	0.0171	0.1844	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0175	0.0951
Brugia malayi	calpain 7	0.0077	0.0677	0.1096
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0518	0.6179	1
Giardia lamblia	Cathepsin B precursor	0.0171	0.1844	0.5
Plasmodium vivax	calpain, putative	0.0077	0.0677	0.5
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0175	0.5
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0171	0.1844	1
Echinococcus granulosus	calpain	0.0077	0.0677	0.0836
Schistosoma mansoni	hypothetical protein	0.0172	0.1859	0.3009
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0077	0.0677	0.1096
Trypanosoma brucei	antigen, putative	0.0077	0.0677	0.3673
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0171	0.1844	1
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0205	0.2276	0.3684
Leishmania major	kinesin, putative	0.0054	0.0386	0.2094
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0175	0.0284
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0171	0.1844	0.2984
Echinococcus granulosus	calpain A	0.0215	0.2393	0.3693
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0281	0.0108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0077	0.0677	0.3673
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0175	0.0951
Trypanosoma brucei	calpain-like protein, putative	0.0077	0.0677	0.3673
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0077	0.0677	0.3673
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0175	0.0951
Schistosoma mansoni	calpain C (C02 family)	0.0077	0.0677	0.1096
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0077	0.0677	0.1096
Trypanosoma brucei	calpain-like protein, putative	0.0077	0.0677	0.3673
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0175	0.0951
Brugia malayi	Inositol-1	0.0037	0.0175	0.0284
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0281	0.0456
Loa Loa (eye worm)	calpain 5	0.0054	0.0386	0.0625
Schistosoma mansoni	calpain-7 (C02 family)	0.0077	0.0677	0.1096
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0037	0.0175	0.5
Echinococcus multilocularis	calpain family protein 1, d	0.0151	0.1599	0.1449
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0215	0.2393	0.3872
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1599	0.2588
Loa Loa (eye worm)	calpain	0.0077	0.0677	0.1096
Onchocerca volvulus		0.0128	0.1308	0.5
Brugia malayi	calpain family protein 1	0.0205	0.2276	0.3684
Trypanosoma brucei	calpain-like protein, putative	0.0077	0.0677	0.3673
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0033	0.0127	0.5
Echinococcus multilocularis	calpain 5	0.0077	0.0677	0.0511
Echinococcus granulosus	cathepsin b	0.0518	0.6179	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0281	0.0456
Schistosoma mansoni	hypothetical protein	0.0172	0.1859	0.3009
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0281	0.0456
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0215	0.2393	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1985	0.3213
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0077	0.0677	0.1096
Loa Loa (eye worm)	inositol-1	0.0037	0.0175	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0518	0.6179	1
Leishmania major	calpain, putative,cysteine peptidase, Clan CA, family C2, putative	0.0077	0.0677	0.3673
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0171	0.1844	1
Schistosoma mansoni	calpain-7 (C02 family)	0.0077	0.0677	0.1096
Giardia lamblia	Cathepsin B precursor	0.0171	0.1844	0.5
Echinococcus granulosus	calpain 7 C02 family	0.0077	0.0677	0.0836
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0281	0.0456
Echinococcus multilocularis	calpain A	0.0215	0.2393	0.2257
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0171	0.1844	0.2984
Giardia lamblia	Cathepsin B precursor	0.0171	0.1844	0.5
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0175	0.0284
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0077	0.0677	0.1096
Entamoeba histolytica	protein kinase, putative	0.0054	0.0386	1
Trypanosoma cruzi	kinesin, putative	0.0054	0.0386	0.0625
Plasmodium falciparum	calpain	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1308	0.2117
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0077	0.0677	0.1096
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0281	0.0108
Echinococcus granulosus	calpain A	0.0077	0.0677	0.0836
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0077	0.0677	0.3673

Activities

No activities found for this compound.

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: CHEMBL3440685

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 1928060