TDR Targets

Basic information

Technical information

TDR Targets ID: 1766569
Name: phenylmethyl N-[(2R)-1-(methoxy-methylamino)- 1-oxo-3-phenylpropan-2-yl]carbamate
MW: 342.389 | Formula: C19H22N2O4
H donors: 1 H acceptors: 2 LogP: 3 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CON(C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C
InChi: 1S/C19H22N2O4/c1-21(24-2)18(22)17(13-15-9-5-3-6-10-15)20-19(23)25-14-16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3,(H,20,23)/t17-/m1/s1
InChiKey: VAZMRCRWGLSXOE-QGZVFWFLSA-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

phenylmethyl N-[(1R)-2-(methoxy-methyl-amino)-2-oxo-1-(phenylmethyl)ethyl]carbamate
N-[(1R)-2-(methoxy-methylamino)-2-oxo-1-(phenylmethyl)ethyl]carbamic acid phenylmethyl ester
N-[(1R)-1-(benzyl)-2-keto-2-(methoxy-methyl-amino)ethyl]carbamic acid benzyl ester
phenylmethyl N-[(2R)-1-(methoxy-methyl-amino)-1-oxo-3-phenyl-propan-2-yl]carbamate

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
Brugia malayi	Cathepsin L-like precursor	0.0375	0.2227	0.2227
Trypanosoma cruzi	cysteine peptidase, putative	0.0375	0.2227	0.2227
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0965	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0375	0.2227	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0965	1	1
Loa Loa (eye worm)	hypothetical protein	0.0965	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Echinococcus granulosus	cathepsin l1	0.026	0.0708	0.0708
Trypanosoma cruzi	cysteine peptidase, putative	0.0942	0.9706	0.9706
Leishmania major	cathepsin L-like protease	0.0942	0.9706	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Schistosoma mansoni	cathepsin F (C01 family)	0.026	0.0708	0.0708
Brugia malayi	Cathepsin L-like precursor	0.026	0.0708	0.0708
Onchocerca volvulus		0.0375	0.2227	1
Leishmania major	cathepsin L-like protease	0.0942	0.9706	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0375	0.2227	0.2227
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0375	0.2227	1
Echinococcus granulosus	cathepsin l1	0.0375	0.2227	0.2227
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Echinococcus granulosus	cathepsin b	0.0965	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0965	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0965	1	1
Echinococcus granulosus	cathepsin b	0.0965	1	1
Echinococcus multilocularis	cathepsin b	0.0965	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Brugia malayi	Cathepsin L-like precursor	0.0375	0.2227	0.2227
Leishmania major	cathepsin L-like protease	0.0375	0.2227	0.0238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Brugia malayi	Cathepsin L-like precursor	0.026	0.0708	0.0708
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Giardia lamblia	Cathepsin B precursor	0.0361	0.2044	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0375	0.2227	0.1634
Echinococcus multilocularis	cathepsin L cysteine protease	0.0375	0.2227	0.2227
Giardia lamblia	Cathepsin B precursor	0.0361	0.2044	0.5
Leishmania major	cathepsin L-like protease	0.0375	0.2227	0.0238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Echinococcus multilocularis	cysteine protease	0.0375	0.2227	0.2227
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Onchocerca volvulus		0.0375	0.2227	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Brugia malayi	Cathepsin L-like precursor	0.0375	0.2227	0.2227
Schistosoma mansoni	cathepsin F (C01 family)	0.0375	0.2227	0.2227
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0965	1	1
Onchocerca volvulus		0.0375	0.2227	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0361	0.2044	0.2044
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0827	0.8188	0.8188
Toxoplasma gondii	cathepsin CPL	0.0375	0.2227	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0375	0.2227	0.2227
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0375	0.2227	1
Brugia malayi	Cathepsin L-like precursor	0.0375	0.2227	0.2227
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Leishmania major	cathepsin L-like protease	0.0375	0.2227	0.0238
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Brugia malayi	cathepsin L-like precursor	0.026	0.0708	0.0708
Plasmodium vivax	vivapain-2	0.0375	0.2227	1
Leishmania major	cathepsin L-like protease	0.0942	0.9706	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0658	0.5961	0.5961
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Loa Loa (eye worm)	hypothetical protein	0.0375	0.2227	0.1634
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.026	0.0708	0.3182
Onchocerca volvulus		0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0375	0.2227	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0942	0.9706	0.9706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0361	0.2044	0.9181
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0375	0.2227	1
Leishmania major	cathepsin L-like protease	0.0375	0.2227	0.0238
Brugia malayi	Papain family cysteine protease containing protein	0.0375	0.2227	0.2227
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.026	0.0708	0.3182
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0361	0.2044	0.2106
Schistosoma mansoni	cathepsin F (C01 family)	0.0375	0.2227	0.2227
Brugia malayi	Cathepsin L-like precursor	0.0375	0.2227	0.2227
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0375	0.2227	0.2227
Loa Loa (eye worm)	fibroinase	0.0375	0.2227	0.1634
Onchocerca volvulus		0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Entamoeba histolytica	cysteine proteinase, putative	0.0375	0.2227	1
Entamoeba histolytica	cysteine proteinase, putative	0.0375	0.2227	1
Echinococcus multilocularis	cysteine protease	0.0375	0.2227	0.2227
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Plasmodium vivax	vivapain-2	0.0375	0.2227	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Entamoeba histolytica	cysteine proteinase, putative	0.026	0.0708	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.0942	0.9706	0.9706
Leishmania major	cathepsin L-like protease	0.0375	0.2227	0.0238
Echinococcus multilocularis	cathepsin L cysteine protease	0.0375	0.2227	0.2227
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0942	0.9706	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0375	0.2227	0.2227
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0361	0.2044	0.2044
Brugia malayi	Cathepsin L-like cysteine proteinase	0.026	0.0708	0.0708
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Onchocerca volvulus	Cathepsin L homolog	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Onchocerca volvulus		0.0375	0.2227	1
Loa Loa (eye worm)	cathepsin B	0.0361	0.2044	0.1438
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0375	0.2227	1
Brugia malayi	Cathepsin L-like precursor	0.0375	0.2227	0.2227
Loa Loa (eye worm)	cysteine protease	0.0375	0.2227	0.1634
Entamoeba histolytica	cysteine protease, putative	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Leishmania major	cysteine peptidase A (CPA)	0.0375	0.2227	0.0238
Trypanosoma cruzi	cruzipain precursor, putative	0.0942	0.9706	0.9706
Onchocerca volvulus		0.0375	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0375	0.2227	1
Loa Loa (eye worm)	ctsf protein	0.0375	0.2227	0.1634
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0375	0.2227	0.1634
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0375	0.2227	1
Giardia lamblia	Cathepsin B precursor	0.0361	0.2044	0.5
Echinococcus multilocularis	cathepsin b	0.0965	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.146	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)	-4.122	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
GI50 (functional)	-4.113	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the K-562 Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.01	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	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 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 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 HOP-92 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 HL-60(TB) Leukemia 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 SF-539 Central Nervous System 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: CHEMBL2374479

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 1766569