TDR Targets

Basic information

Technical information

TDR Targets ID: 1461482
Name: (2S)-N-(4-bromophenyl)-2-[(3-methoxyphenyl)am ino]propanamide
MW: 349.222 | Formula: C16H17BrN2O2
H donors: 2 H acceptors: 1 LogP: 3.87 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)N[C@H](C(=O)Nc1ccc(cc1)Br)C
InChi: 1S/C16H17BrN2O2/c1-11(18-14-4-3-5-15(10-14)21-2)16(20)19-13-8-6-12(17)7-9-13/h3-11,18H,1-2H3,(H,19,20)/t11-/m0/s1
InChiKey: QRLXZUDKOHOQGR-NSHDSACASA-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

(2S)-N-(4-bromophenyl)-2-[(3-methoxyphenyl)amino]propionamide
ZINC06787765

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
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0278	0.8334	0.8142
Leishmania major	cathepsin L-like protease	0.0278	0.8334	1
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Echinococcus granulosus	cathepsin b	0.0329	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0278	0.8334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Brugia malayi	fibroinase precursor	0.0058	0.1038	0.1038
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0329	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Loa Loa (eye worm)	fibroinase	0.0278	0.8334	0.8334
Brugia malayi	Cathepsin L-like precursor	0.0278	0.8334	0.8334
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Trypanosoma cruzi	cysteine protease, putative	0.0148	0.3996	0.3301
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Toxoplasma gondii	cathepsin B	0.0142	0.381	0.3799
Entamoeba histolytica	cysteine proteinase 1, putative	0.0148	0.3996	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1038	0.1038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.3996	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Plasmodium vivax	vivapain-1	0.0148	0.3996	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0058	0.1038	0.1038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0278	0.8334	0.8142
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Schistosoma mansoni	cathepsin s	0.0089	0.2068	0.1149
Echinococcus multilocularis	cysteine protease	0.0278	0.8334	0.8142
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1038	0.1038
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0278	0.8334	0.8142
Onchocerca volvulus		0.0278	0.8334	1
Brugia malayi	Cathepsin L-like precursor	0.0278	0.8334	0.8334
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0189	0.5376	0.5946
Echinococcus granulosus	cathepsin L cysteine protease	0.0148	0.3996	0.3301
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0329	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0148	0.3996	0.3301
Schistosoma mansoni	cathepsin F (C01 family)	0.0278	0.8334	0.8142
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0278	0.8334	0.8334
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1038	0.1038
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0148	0.3996	0.3301
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0278	0.8334	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1038	0.1038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1038	0.1038
Leishmania major	cathepsin L-like protease	0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2068	0.2068
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0058	0.1038	0.1038
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0058	0.1038	0.1038
Brugia malayi	Cathepsin L-like precursor	0.0278	0.8334	0.8334
Leishmania major	cathepsin L-like protease	0.0278	0.8334	1
Brugia malayi	Cathepsin L-like precursor	0.0278	0.8334	0.8334
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Brugia malayi	cathepsin L precursor	0.0058	0.1038	0.1038
Plasmodium vivax	unspecified product	0.0148	0.3996	0.4054
Plasmodium vivax	vivapain-2	0.0278	0.8334	1
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0142	0.381	0.3093
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Echinococcus multilocularis	cysteine protease	0.0278	0.8334	0.8142
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0148	0.3996	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0329	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0278	0.8334	1
Onchocerca volvulus		0.0278	0.8334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0089	0.2068	0.1149
Trypanosoma cruzi	cysteine proteinase, putative	0.0148	0.3996	0.3301
Giardia lamblia	Cathepsin B precursor	0.0142	0.381	1
Echinococcus multilocularis	cathepsin b	0.0329	1	1
Leishmania major	cathepsin L-like protease	0.0278	0.8334	1
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.1038	0.1038
Onchocerca volvulus		0.0278	0.8334	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0089	0.2068	0.2068
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0148	0.3996	0.4054
Entamoeba histolytica	cysteine proteinase, putative	0.0278	0.8334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0148	0.3996	0.3301
Brugia malayi	Cathepsin L-like precursor	0.0189	0.5376	0.5376
Echinococcus multilocularis	cathepsin L cysteine protease	0.0278	0.8334	0.8142
Toxoplasma gondii	cathepsin CPL	0.0278	0.8334	1
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.1038	0.1038
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0278	0.8334	0.8142
Brugia malayi	Papain family cysteine protease containing protein	0.0278	0.8334	0.8334
Echinococcus granulosus	cathepsin b	0.0329	1	1
Plasmodium vivax	vivapain-3	0.0148	0.3996	0.4054
Trypanosoma cruzi	cysteine proteinase, putative	0.0148	0.3996	0.3301
Loa Loa (eye worm)	cysteine protease	0.0278	0.8334	0.8334
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0148	0.3996	0.3301
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0189	0.5376	0.5946
Echinococcus granulosus	cathepsin l1	0.0278	0.8334	0.8142
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0278	0.8334	1
Loa Loa (eye worm)	ctsf protein	0.0278	0.8334	0.8334
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0142	0.381	0.3799
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0278	0.8334	0.8334
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0189	0.5376	0.4841
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2068	0.2068
Trypanosoma cruzi	cruzipain precursor, putative	0.0278	0.8334	0.8142
Trypanosoma cruzi	cysteine peptidase, putative	0.0278	0.8334	0.8142
Brugia malayi	Cathepsin L-like precursor	0.0089	0.2068	0.2068
Brugia malayi	Cathepsin L-like precursor	0.0278	0.8334	0.8334
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0278	0.8334	1
Entamoeba histolytica	cysteine proteinase, putative	0.0148	0.3996	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Onchocerca volvulus		0.0278	0.8334	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.5376	0.5376
Entamoeba histolytica	cysteine proteinase 2	0.0148	0.3996	0.4054
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0189	0.5376	0.5376
Entamoeba histolytica	cysteine proteinase, putative	0.0148	0.3996	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0148	0.3996	0.3301
Leishmania major	cathepsin L-like protease	0.0278	0.8334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.5376	0.5376
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0058	0.1038	0.1038
Brugia malayi	cathepsin F-like cysteine proteinase	0.0089	0.2068	0.2068
Brugia malayi	Papain family cysteine protease containing protein	0.0148	0.3996	0.3996
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Brugia malayi	cathepsin L-like precursor	0.0189	0.5376	0.5376
Leishmania major	cathepsin L-like protease	0.0278	0.8334	1
Giardia lamblia	Cathepsin B precursor	0.0142	0.381	1
Giardia lamblia	Cathepsin B precursor	0.0142	0.381	1
Leishmania major	cathepsin L-like protease	0.0278	0.8334	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.5376	0.5376
Echinococcus granulosus	cathepsin l1	0.0189	0.5376	0.4841
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Echinococcus granulosus	cysteine protease	0.0148	0.3996	0.3301
Echinococcus multilocularis	cathepsin L	0.0148	0.3996	0.3301
Entamoeba histolytica	cysteine proteinase, putative	0.0189	0.5376	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0089	0.2068	0.2068
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0058	0.1038	0.1038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0058	0.1038	0.1038
Onchocerca volvulus	Cathepsin L homolog	0.0278	0.8334	1
Brugia malayi	cathepsin L-like cysteine proteinase	0.0058	0.1038	0.1038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.3996	0.0412
Plasmodium vivax	unspecified product	0.0089	0.2068	0.1411
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Brugia malayi	Cathepsin L-like precursor	0.0189	0.5376	0.5376
Onchocerca volvulus	Cathepsin L homolog	0.0278	0.8334	1
Onchocerca volvulus		0.0278	0.8334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Onchocerca volvulus		0.0278	0.8334	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0329	1	1
Echinococcus multilocularis	cathepsin b	0.0329	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0058	0.1038	0.1038
Schistosoma mansoni	cathepsin F (C01 family)	0.0278	0.8334	0.8142
Brugia malayi	cathepsin F-like cysteine proteinase	0.0058	0.1038	0.1038
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0089	0.2068	0.2068
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0278	0.8334	0.8334
Onchocerca volvulus		0.0189	0.5376	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Echinococcus multilocularis	cathepsin L cysteine protease	0.0278	0.8334	0.8142
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0278	0.8334	1
Loa Loa (eye worm)	cathepsin B	0.0142	0.381	0.381
Plasmodium vivax	vivapain-2	0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Onchocerca volvulus		0.0278	0.8334	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0278	0.8334	0.8142
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0142	0.381	0.3093
Trypanosoma cruzi	cysteine peptidase, putative	0.0278	0.8334	0.8142
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Leishmania major	cysteine peptidase A (CPA)	0.0278	0.8334	1
Echinococcus granulosus	cathepsin L	0.0148	0.3996	0.3301
Schistosoma mansoni	cathepsin F (C01 family)	0.0189	0.5376	0.4841
Entamoeba histolytica	cysteine protease, putative	0.0278	0.8334	1
Brugia malayi	Papain family cysteine protease containing protein	0.0148	0.3996	0.3996
Trypanosoma cruzi	cysteine peptidase, putative	0.0278	0.8334	0.8142
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0278	0.8334	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0148	0.3996	0.0412
Entamoeba histolytica	cysteine proteinase, putative	0.0148	0.3996	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0329	1	1
Leishmania major	cathepsin L-like protease	0.0278	0.8334	1
Entamoeba histolytica	cysteine proteinase, putative	0.0148	0.3996	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0148	0.3996	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0329	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0278	0.8334	1
Loa Loa (eye worm)	hypothetical protein	0.0278	0.8334	0.8334
Trypanosoma cruzi	cruzipain precursor, putative	0.0089	0.2068	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1038	0.1038

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Inhibition of HIV1 YU2 gp120 binding to CD4 expressing Cf2Th-CD4/CCR5 cells assessed as inhibition of viral infection after 48 hrs	ChEMBL.	21169023

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: CHEMBL1645332

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 1461482