TDR Targets

Basic information

Technical information

TDR Targets ID: 370920
Name: N-[3-amino-5-(hydroxymethyl)phenyl]-2-phenyla cetamide
MW: 256.3 | Formula: C15H16N2O2
H donors: 3 H acceptors: 2 LogP: 1.13 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OCc1cc(NC(=O)Cc2ccccc2)cc(c1)N
InChi: 1S/C15H16N2O2/c16-13-6-12(10-18)7-14(9-13)17-15(19)8-11-4-2-1-3-5-11/h1-7,9,18H,8,10,16H2,(H,17,19)
InChiKey: YDELMHNUVGPZEG-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-[3-amino-5-(hydroxymethyl)phenyl]-2-phenyl-acetamide
N-[3-azanyl-5-(hydroxymethyl)phenyl]-2-phenyl-ethanamide
N-(3-amino-5-methylol-phenyl)-2-phenyl-acetamide
N-[3-amino-5-(hydroxymethyl)phenyl]-2-phenyl-ethanamide

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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Onchocerca volvulus		0.0045	0.0269	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.034	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0045	0.0269	0.0514
Schistosoma mansoni	hypothetical protein	0.0318	0.3651	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Leishmania major	cathepsin L-like protease	0.0045	0.0269	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0234	0.0642
Echinococcus granulosus	small conductance calcium activated potassium	0.0318	0.3651	1
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0269	0.7907
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0269	0.7907
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0045	0.0269	0.0737
Brugia malayi	Cathepsin L-like precursor	0.003	0.0086	0.2516
Loa Loa (eye worm)	fibroinase	0.0045	0.0269	0.0514
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.003	0.0086	0.3182
Entamoeba histolytica	hypothetical protein	0.0042	0.0234	0.8718
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Onchocerca volvulus		0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.034	0.0932
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0045	0.0269	0.0514
Echinococcus granulosus	cathepsin l1	0.0045	0.0269	0.0737
Loa Loa (eye worm)	ctsf protein	0.0045	0.0269	0.0514
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Entamoeba histolytica	cysteine proteinase, putative	0.003	0.0086	0.3182
Onchocerca volvulus		0.0045	0.0269	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0045	0.0269	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1688	0.4494
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0045	0.0269	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.034	0.034
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0045	0.0269	0.0269
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0234	0.0642
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.0269	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.0269	1
Leishmania major	cathepsin L-like protease	0.0045	0.0269	0.5
Brugia malayi	Cathepsin L-like cysteine proteinase	0.003	0.0086	0.2516
Echinococcus multilocularis	cathepsin L cysteine protease	0.0045	0.0269	0.0269
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.034	0.0932
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Schistosoma mansoni	cathepsin F (C01 family)	0.003	0.0086	0.0234
Schistosoma mansoni	calcium-activated potassium channel	0.0318	0.3651	1
Leishmania major	cathepsin L-like protease	0.0045	0.0269	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0045	0.0269	1
Brugia malayi	hypothetical protein	0.0042	0.0234	0.6894
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.0269	1
Plasmodium vivax	vivapain-2	0.0045	0.0269	1
Leishmania major	cathepsin L-like protease	0.0045	0.0269	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0045	0.0269	1
Toxoplasma gondii	cathepsin CPL	0.0045	0.0269	0.5
Echinococcus granulosus	cathepsin l1	0.003	0.0086	0.0234
Entamoeba histolytica	hypothetical protein	0.0042	0.0234	0.8718
Brugia malayi	Cathepsin L-like precursor	0.003	0.0086	0.2516
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0269	0.7907
Loa Loa (eye worm)	cysteine protease	0.0045	0.0269	0.0514
Leishmania major	cathepsin L-like protease	0.0045	0.0269	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0269	0.7907
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0234	0.0642
Onchocerca volvulus	Cathepsin L homolog	0.0045	0.0269	1
Plasmodium vivax	vivapain-2	0.0045	0.0269	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.034	0.034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0045	0.0269	0.0269
Leishmania major	cathepsin L-like protease	0.0045	0.0269	0.5
Leishmania major	cathepsin L-like protease	0.0045	0.0269	0.5
Leishmania major	cathepsin L-like protease	0.0045	0.0269	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0045	0.0269	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Onchocerca volvulus		0.0045	0.0269	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0269	0.0514
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0045	0.0269	1
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0269	0.7907
Entamoeba histolytica	hypothetical protein	0.0042	0.0234	0.8718
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.034	0.0932
Brugia malayi	cathepsin L-like precursor	0.003	0.0086	0.2516
Leishmania major	cysteine peptidase A (CPA)	0.0045	0.0269	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0045	0.0269	0.0269
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Brugia malayi	Cathepsin L-like precursor	0.0045	0.0269	0.7907
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0045	0.0269	0.0737
Onchocerca volvulus		0.0045	0.0269	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.034	0.0932
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.034	0.0714
Echinococcus multilocularis	cysteine protease	0.0045	0.0269	0.0269
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0045	0.0269	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0234	0.0234
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0045	0.0269	0.0737
Entamoeba histolytica	hypothetical protein	0.0042	0.0234	0.8718
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Echinococcus multilocularis	small conductance calcium activated potassium	0.0318	0.3651	0.3651
Onchocerca volvulus	Cathepsin L homolog	0.0045	0.0269	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.034	0.0932
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0086	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.003	0.0086	0.3182
Trypanosoma cruzi	cruzipain precursor, putative	0.0045	0.0269	1
Schistosoma mansoni	calcium-activated potassium channel	0.0302	0.3459	0.9474
Onchocerca volvulus		0.0045	0.0269	1
Loa Loa (eye worm)	hypothetical protein	0.0318	0.3651	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Onchocerca volvulus		0.0045	0.0269	1
Loa Loa (eye worm)	hypothetical protein	0.0143	0.1485	0.3926
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Echinococcus multilocularis	cysteine protease	0.0045	0.0269	0.0269
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0045	0.0269	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0045	0.0269	1
Entamoeba histolytica	cysteine proteinase, putative	0.0045	0.0269	1
Brugia malayi	Papain family cysteine protease containing protein	0.0045	0.0269	0.7907
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.0269	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0045	0.0269	1
Entamoeba histolytica	cysteine protease, putative	0.0045	0.0269	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0045	0.0269	0.0737

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Antiviral activity against wild type Measles virus Edmonston in Vero-CD150w cells upto 100 uM by cytopathicity assay	ChEMBL.	16913698

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

PubChem: 11849508

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 370920