TDR Targets

Basic information

Technical information

TDR Targets ID: 259524
Name: N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]p henyl]propanamide
MW: 280.363 | Formula: C15H24N2O3
H donors: 3 H acceptors: 2 LogP: 1.29 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)Nc1ccc(cc1)OCC(CNC(C)C)O
InChi: 1S/C15H24N2O3/c1-4-15(19)17-12-5-7-14(8-6-12)20-10-13(18)9-16-11(2)3/h5-8,11,13,16,18H,4,9-10H2,1-3H3,(H,17,19)
InChiKey: BPENFEPYBVXUII-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-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propanamide
N-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propionamide
N-(4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl)propanamide
Propionanilide, 4'-[2-hydroxy-3-(isopropylamino)propoxy]-

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	fructose-bisphosphate aldolase, putative	0.027	0.5006	1
Echinococcus granulosus	aminopeptidase N	0.0513	1	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1359	0.1611
Schistosoma mansoni	jumonji domain containing protein	0.007	0.0889	0.1588
Echinococcus granulosus	chromobox protein 1	0.0064	0.0771	0.0771
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0076	0.1012	1
Loa Loa (eye worm)	hypothetical protein	0.0344	0.6519	0.7731
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0169	0.2926	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Brugia malayi	hypothetical protein	0.0223	0.4028	0.4028
Trichomonas vaginalis	set domain proteins, putative	0.0219	0.3952	0.7812
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0132	0.2162	0.6005
Echinococcus multilocularis	jumonji domain containing protein	0.0038	0.0217	0.0217
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.027	0.5006	1
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0299	0.5595	0.5595
Toxoplasma gondii	aminopeptidase N, putative	0.0076	0.1012	1
Loa Loa (eye worm)	aminopeptidase N	0.0169	0.2926	0.347
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.027	0.5006	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.027	0.5006	1
Schistosoma mansoni	chromobox protein	0.0064	0.0771	0.1378
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0076	0.1012	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0056	0.0591	0.07
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0169	0.2926	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0064	0.0771	0.0914
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1012	0.1201
Echinococcus granulosus	lysine specific demethylase 5A	0.0033	0.0117	0.0117
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.027	0.5006	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0245	0.0245
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0169	0.2926	0.2926
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0093	0.1359	0.181
Brugia malayi	Peptidase family M1 containing protein	0.0076	0.1012	0.1012
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0093	0.1359	0.1359
Brugia malayi	hypothetical protein	0.0076	0.1012	0.1012
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0169	0.2926	0.5683
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0028	0.0033
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0169	0.2926	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0013	0.0024
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.027	0.5006	1
Loa Loa (eye worm)	peptidase family M1 containing protein	0.042	0.8087	0.9589
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0169	0.2926	0.5683
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.027	0.5006	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0013	0.0016
Loa Loa (eye worm)	jmjC domain-containing protein	0.0033	0.0117	0.0138
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0192	0.3405	0.4037
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0076	0.1012	0.1012
Onchocerca volvulus		0.0219	0.3952	0.3952
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Loa Loa (eye worm)	hypothetical protein	0.0093	0.1359	0.1611
Trichomonas vaginalis	chromobox protein, putative	0.0064	0.0771	0.1209
Echinococcus granulosus	jumonji domain containing protein	0.0038	0.0217	0.0217
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0076	0.1012	0.1711
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0132	0.2162	0.5
Onchocerca volvulus		0.0076	0.1012	0.1012
Toxoplasma gondii	aminopeptidase n, putative	0.0076	0.1012	1
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1012	0.1201
Onchocerca volvulus		0.0513	1	1
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0299	0.5595	0.6635
Giardia lamblia	Fructose-bisphosphate aldolase	0.027	0.5006	1
Onchocerca volvulus		0.0028	0.0028	0.0028
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0076	0.1012	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0188	0.0223
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.027	0.5006	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.027	0.5006	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0033	0.0117	0.0117
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0299	0.5595	1
Loa Loa (eye worm)	hypothetical protein	0.0437	0.8433	1
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0169	0.2926	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Echinococcus granulosus	chromobox protein 1	0.0064	0.0771	0.0771
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0396	0.047
Toxoplasma gondii	aminopeptidase N protein	0.0076	0.1012	1
Brugia malayi	TATA binding protein associated factor	0.0076	0.1012	0.1012
Loa Loa (eye worm)	hypothetical protein	0.0076	0.1012	0.1201
Loa Loa (eye worm)	TATA binding protein associated factor	0.0076	0.1012	0.1201
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0169	0.2926	1
Trichomonas vaginalis	chromobox protein, putative	0.0064	0.0771	0.1209
Brugia malayi	Heterochromatin protein 1	0.0064	0.0771	0.0771
Trichomonas vaginalis	chromobox protein, putative	0.0039	0.0245	0.0117
Brugia malayi	hypothetical protein	0.0169	0.2926	0.2926
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0088	0.1262	0.1262
Brugia malayi	Pre-SET motif family protein	0.0192	0.3405	0.3405
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0088	0.1262	0.1262
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0093	0.1359	0.2429
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0076	0.1012	0.1012
Echinococcus multilocularis	chromobox protein 1	0.0064	0.0771	0.0771
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0033	0.0117	0.0209
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0299	0.5595	0.5595
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0013	0.0024
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0169	0.2926	0.5229
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0028	0.0013	0.0024
Trypanosoma brucei	Aminopeptidase M1, putative	0.0169	0.2926	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0033	0.0117	0.0209
Brugia malayi	jmjC domain containing protein	0.0088	0.1262	0.1262
Schistosoma mansoni	chromobox protein	0.0064	0.0771	0.1378
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0028	0.0013	0.0013
Brugia malayi	Pre-SET motif family protein	0.0028	0.0013	0.0013
Brugia malayi	chromobox protein homolog 3	0.0036	0.0188	0.0188
Trypanosoma cruzi	aminopeptidase, putative	0.0169	0.2926	1
Onchocerca volvulus		0.0038	0.023	0.023
Onchocerca volvulus		0.0169	0.2926	0.2926
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0076	0.1012	0.181
Trichomonas vaginalis	chromobox protein, putative	0.0039	0.0245	0.0117
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.027	0.5006	1
Echinococcus multilocularis	aminopeptidase N	0.0513	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0028	0.0013	0.0013
Plasmodium vivax	SET domain protein, putative	0.0028	0.0013	0.0131
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0038	0.023	0.0411
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0076	0.1012	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.0169	0.2926	1
Treponema pallidum	fructose-bisphosphate aldolase	0.027	0.5006	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0169	0.2926	0.2926
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0132	0.2162	0.5
Trypanosoma brucei	Aminopeptidase M1, putative	0.0169	0.2926	1
Brugia malayi	Peptidase family M1 containing protein	0.0169	0.2926	0.2926
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0028	0.0013	0.0131
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0036	0.0188	0.0188
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0076	0.1012	0.181
Echinococcus granulosus	histone lysine methyltransferase setb	0.0028	0.0013	0.0013
Echinococcus multilocularis	chromobox protein 1	0.0064	0.0771	0.0771
Brugia malayi	jmjC domain containing protein	0.0033	0.0117	0.0117
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0169	0.2926	0.5229

Activities

Activity type	Activity value	Assay description	Source	Reference
Log Dm	= -1.08	Distribution coefficient of the compound measured in Octanol/buffer (0.15 M KCl)	ChEMBL.	9876108
Pc (ADMET)	= 0.00000603 cm s-1	Mono layer permeability of human intestinal Caco-2 cells	ChEMBL.	9876108
Pc (ADMET)	= 0.00000603 cm s-1	Mono layer permeability of human intestinal Caco-2 cells	ChEMBL.	9876108
pKa	= 9.5	Dissociation constant of the compound	ChEMBL.	9876108

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: CHEMBL150602
PubChem: 551868

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 259524