TDR Targets

Basic information

Technical information

TDR Targets ID: 1587820
Name: 2-(carbamoylamino)-N-[2-(2,4-dichlorophenyl)e thyl]-4-methylpentanamide
MW: 346.252 | Formula: C15H21Cl2N3O2
H donors: 3 H acceptors: 2 LogP: 3.25 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(CC(C(=O)NCCc1ccc(cc1Cl)Cl)NC(=O)N)C
InChi: 1S/C15H21Cl2N3O2/c1-9(2)7-13(20-15(18)22)14(21)19-6-5-10-3-4-11(16)8-12(10)17/h3-4,8-9,13H,5-7H2,1-2H3,(H,19,21)(H3,18,20,22)
InChiKey: FEUYUFXGAGIPJT-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-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-ureido-pentanamide
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-ureidopentanamide
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-2-ureido-valeramide
2-(aminocarbonylamino)-N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-pentanamide
SMR000343454
MLS000517386

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 multilocularis	aminopeptidase N	0.0591	1	1
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0591	1	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0208	0.3428	0.3428
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0026	0.0304	0.0051
Loa Loa (eye worm)	TATA binding protein associated factor	0.0208	0.3428	0.3428
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0591	1	1
Schistosoma mansoni	ran	0.0026	0.0304	0.0304
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0254	0.0254
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0627	0.0627
Trypanosoma brucei	Aminopeptidase M1, putative	0.0591	1	1
Entamoeba histolytica	aminopeptidase, putative	0.0591	1	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0208	0.3428	1
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0208	0.3428	1
Toxoplasma gondii	aminopeptidase N protein	0.0208	0.3428	1
Schistosoma mansoni	hypothetical protein	0.0372	0.6242	0.6242
Brugia malayi	hypothetical protein	0.0591	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0591	1	1
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0208	0.3428	0.3428
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0462	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0208	0.3428	0.3428
Toxoplasma gondii	aminopeptidase n, putative	0.0208	0.3428	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0591	1	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.0349	0.0097
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0591	1	1
Brugia malayi	hypothetical protein	0.0208	0.3428	0.3428
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0208	0.3428	0.3428
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0627	0.0627
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0462	0.0213
Mycobacterium ulcerans	aminopeptidase N PepN	0.0591	1	1
Leishmania major	importin beta-1 subunit, putative	0.0028	0.0349	0.0097
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.1856	0.1856
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.0349	0.0097
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0254	0.0254
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0627	0.0627
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0208	0.3428	0.3257
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0026	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0383	0.6436	0.6436
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0462	0.0462
Brugia malayi	RNA, U transporter 1	0.0099	0.1563	0.1563
Echinococcus granulosus	snurportin 1	0.0372	0.6242	0.6242
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0254	0.0254
Toxoplasma gondii	aminopeptidase N, putative	0.0208	0.3428	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0208	0.3428	0.3257
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0627	0.0627
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0349	0.0097
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0208	0.3428	0.3257
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0208	0.3428	0.3428
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0462	0.0655
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0208	0.3428	0.3428
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0208	0.3428	0.3257
Brugia malayi	MH2 domain containing protein	0.0116	0.1856	0.1856
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0627	0.0627
Entamoeba histolytica	hypothetical protein	0.0028	0.0349	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0462	0.0462
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0591	1	1
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0208	0.3428	0.3428
Brugia malayi	Peptidase family M1 containing protein	0.0591	1	1
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0208	0.3428	0.3428
Onchocerca volvulus		0.0591	1	1
Schistosoma mansoni	ap endonuclease	0.0023	0.0254	0.0254
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0591	1	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0462	0.0213
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0627	0.0627
Leishmania major	GTP-binding protein, putative	0.0026	0.0304	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0383	0.6436	0.6436
Echinococcus granulosus	aminopeptidase N	0.0591	1	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0254	0.5
Brugia malayi	TATA binding protein associated factor	0.0208	0.3428	0.3428
Onchocerca volvulus		0.0591	1	1
Trypanosoma cruzi	aminopeptidase, putative	0.0591	1	1
Loa Loa (eye worm)	hypothetical protein	0.0383	0.6436	0.6436
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0254	0.5
Schistosoma mansoni	ap endonuclease	0.0023	0.0254	0.0254
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0591	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0627	0.0627
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0627	0.0627
Trypanosoma cruzi	aminopeptidase, putative	0.0208	0.3428	0.3257
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0254	0.0254
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0208	0.3428	0.3257
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0591	1	1
Echinococcus multilocularis	snurportin 1	0.0372	0.6242	0.6242
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0591	1	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0208	0.3428	1
Brugia malayi	Peptidase family M1 containing protein	0.0208	0.3428	0.3428
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0208	0.3428	0.3428
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0026	0.0304	0.0158
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0462	0.0655
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0591	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0591	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.1856	0.1856
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0026	0.0304	0.0051
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0591	1	1
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0591	1	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.0208	0.3428	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0208	0.3428	0.3428
Loa Loa (eye worm)	aminopeptidase N	0.0591	1	1
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0208	0.3428	0.3428
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0627	0.0627
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0591	1	1
Brugia malayi	Importin beta-1 subunit	0.0035	0.0462	0.0462
Schistosoma mansoni	ran	0.0026	0.0304	0.0304
Schistosoma mansoni	importin beta-1	0.0035	0.0462	0.0462
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0383	0.6436	0.6344
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0591	1	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	0.6242	0.6242
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0591	1	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0026	0.0304	0.0304
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0026	0.0304	0.0304
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0026	0.0304	0.0158
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0026	0.0304	0.0051
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0026	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0208	0.3428	0.3428
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0383	0.6436	0.6436
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0591	1	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0254	0.5
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0591	1	1
Entamoeba histolytica	Ran family GTPase	0.0026	0.0304	0.0051
Trypanosoma brucei	Aminopeptidase M1, putative	0.0591	1	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0349	0.0097
Plasmodium falciparum	importin beta, putative	0.0035	0.0462	0.0655
Trypanosoma brucei	aminopeptidase, putative	0.0208	0.3428	0.3257
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0383	0.6436	0.6436
Trichomonas vaginalis	ran, putative	0.0026	0.0304	0.0051
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0026	0.0304	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0026	0.0304	0.0158
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0208	0.3428	1
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0208	0.3428	0.3257
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0208	0.3428	0.3257

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1886579

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 1587820