TDR Targets

Basic information

Technical information

TDR Targets ID: 881921
Name: 3-(2-bromophenyl)-1-(2-cyanoethyl)-1-(oxolan- 2-ylmethyl)urea
MW: 352.226 | Formula: C15H18BrN3O2
H donors: 1 H acceptors: 2 LogP: 1.9 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#CCCN(C(=O)Nc1ccccc1Br)CC1CCCO1
InChi: 1S/C15H18BrN3O2/c16-13-6-1-2-7-14(13)18-15(20)19(9-4-8-17)11-12-5-3-10-21-12/h1-2,6-7,12H,3-5,9-11H2,(H,18,20)
InChiKey: ZIEKGZJRVTZOLH-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

3-(2-bromophenyl)-1-(2-cyanoethyl)-1-(tetrahydrofuran-2-ylmethyl)urea
3-(2-bromophenyl)-1-(2-cyanoethyl)-1-(2-tetrahydrofuranylmethyl)urea
3-(2-bromophenyl)-1-(2-cyanoethyl)-1-(tetrahydrofurfuryl)urea

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
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0179	0.1458	0.1316
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0127	0.0479
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0179	0.1458	1
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0729	0.6309	0.9454
Echinococcus granulosus	intermediate filament protein	0.0027	0.011	0.0425
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0407	0.347	0.5061
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.011	0.0427
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.006	0.0409
Mycobacterium ulcerans	lipase LipD	0.0179	0.1458	0.1949
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0179	0.1458	0.1949
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0132	0.1041	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1458	0.5644
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0198	0.0992
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0198	0.0765
Toxoplasma gondii	ABC1 family protein	0.0179	0.1458	1
Trichomonas vaginalis	esterase, putative	0.0179	0.1458	0.2237
Schistosoma mansoni	hypothetical protein	0.0169	0.1365	0.5283
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0198	0.0222
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0127	0.0479
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0178	0.1444	0.2083
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0198	0.0766
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0407	0.347	0.5379
Trypanosoma brucei	hypothetical protein, conserved	0.0179	0.1458	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0179	0.1458	0.1316
Echinococcus multilocularis	geminin	0.0169	0.1365	0.5283
Onchocerca volvulus		0.0179	0.1458	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0127	0.049
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1458	0.5644
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0407	0.347	0.3361
Mycobacterium tuberculosis	Conserved protein	0.0179	0.1458	0.1316
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0037	0.0198	0.0766
Echinococcus granulosus	geminin	0.0169	0.1365	0.5283
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0283	0.2375	0.2248
Trichomonas vaginalis	penicillin-binding protein, putative	0.0179	0.1458	0.2237
Mycobacterium tuberculosis	Conserved protein	0.0179	0.1458	0.1316
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0198	0.0765
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0079	0.003
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0198	0.099
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0178	0.1444	0.1928
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0198	0.0768
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0037	0.0198	1
Echinococcus multilocularis	musashi	0.0027	0.011	0.0425
Brugia malayi	beta-lactamase	0.0179	0.1458	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0682	0.59	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0179	0.1458	0.2237
Brugia malayi	Inositol-1	0.0037	0.0198	0.1358
Plasmodium vivax	hypothetical protein, conserved	0.0179	0.1458	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0198	0.099
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1458	0.5644
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0106	0.041
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0198	0.0221
Leishmania major	hypothetical protein, conserved	0.0179	0.1458	1
Entamoeba histolytica	hypothetical protein	0.0023	0.0079	0.137
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0729	0.6309	1
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0446	0.3807	0.5929
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0307	0.2583	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0079	0.003
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0079	0.0136
Mycobacterium ulcerans	beta-lactamase	0.0179	0.1458	0.1949
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.011	0.0756
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0064	0.0434	0.0274
Schistosoma mansoni	importin beta-1	0.0029	0.0127	0.0489
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0079	0.0136
Mycobacterium leprae	Probable lipase LipE	0.0179	0.1458	0.2106
Brugia malayi	RNA, U transporter 1	0.0082	0.0595	0.408
Trypanosoma brucei	beta lactamase	0.0064	0.0434	0.2675
Echinococcus granulosus	snurportin 1	0.0307	0.2583	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0179	0.1458	0.2237
Onchocerca volvulus		0.0179	0.1458	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.006	0.0229
Echinococcus granulosus	ubiquitin specific protease 41	0.0037	0.0198	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1458	0.5644
Schistosoma mansoni	lamin	0.0027	0.011	0.0425
Echinococcus multilocularis	lamin dm0	0.0027	0.011	0.0425
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0073	0.0521	0.2016
Trichomonas vaginalis	D-aminoacylase, putative	0.0179	0.1458	0.2237
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0198	0.0765
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0179	0.1458	0.5643
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0079	0.003
Trichomonas vaginalis	conserved hypothetical protein	0.0729	0.6309	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0179	0.1458	0.5643
Trichomonas vaginalis	D-aminoacylase, putative	0.0179	0.1458	0.2237
Loa Loa (eye worm)	beta-lactamase	0.0179	0.1458	0.5644
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0179	0.1458	0.5644
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0198	0.099
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0037	0.0198	0.1361
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0132	0.1041	0.1305
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1458	0.5644
Schistosoma mansoni	hypothetical protein	0.0169	0.1365	0.5283
Echinococcus multilocularis	snurportin 1	0.0307	0.2583	1
Schistosoma mansoni	lamin	0.0027	0.011	0.0425
Mycobacterium leprae	Probable penicillin-binding membrane protein PbpB	0.0227	0.1878	0.2789
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0073	0.0521	0.2016
Onchocerca volvulus		0.0179	0.1458	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0198	0.0766
Trypanosoma cruzi	hypothetical protein, conserved	0.0179	0.1458	1
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0127	0.0489
Schistosoma mansoni	intermediate filament proteins	0.0027	0.011	0.0425
Trypanosoma cruzi	hypothetical protein, conserved	0.0179	0.1458	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0198	0.0221
Echinococcus granulosus	lamin dm0	0.0027	0.011	0.0425
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0037	0.0198	0.0992
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0179	0.1458	0.5643
Loa Loa (eye worm)	hypothetical protein	0.0014	0	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0027	0.011	0.0427
Brugia malayi	intermediate filament protein	0.0027	0.011	0.0756
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0198	0.0222
Mycobacterium tuberculosis	Probable lipase LipE	0.0179	0.1458	0.1316
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0127	0.0479
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0037	0.0198	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.006	0.0231
Mycobacterium tuberculosis	Probable hydrolase	0.0179	0.1458	0.1316
Echinococcus granulosus	lamin	0.0027	0.011	0.0425
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0198	0.099
Mycobacterium ulcerans	lipoprotein LpqF	0.0064	0.0434	0.0365
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0037	0.0198	0.0222
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0198	0.0221
Chlamydia trachomatis	transglycolase/transpeptidase	0.0682	0.59	1
Brugia malayi	beta-lactamase family protein	0.0179	0.1458	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0179	0.1458	0.5643
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0198	0.0765
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0729	0.6309	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0179	0.1458	0.1316
Mycobacterium ulcerans	multidrugs-transport integral membrane protein Mmr-like	0.0769	0.6662	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.011	0.0427
Echinococcus multilocularis	ubiquitin specific protease 41	0.0037	0.0198	0.0766
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.006	0.0229
Mycobacterium ulcerans	multidrug-transport integral membrane protein Mmr	0.0194	0.1583	0.2142
Echinococcus multilocularis	lamin	0.0027	0.011	0.0425
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0037	0.0198	0.0766
Loa Loa (eye worm)	inositol-1	0.0037	0.0198	0.0767
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0037	0.0198	0.0766
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0037	0.0198	0.0766
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0178	0.1444	0.1302
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0064	0.0434	0.0439
Brugia malayi	Importin beta-1 subunit	0.0029	0.0127	0.0869
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.068	0.588	0.879
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0127	0.0479
Brugia malayi	beta-lactamase family protein	0.0179	0.1458	1
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0127	0.0489
Schistosoma mansoni	hypothetical protein	0.0307	0.2583	1
Loa Loa (eye worm)	hypothetical protein	0.0179	0.1458	0.5644
Plasmodium falciparum	importin beta, putative	0.0029	0.0127	1
Mycobacterium tuberculosis	Conserved protein	0.0179	0.1458	0.1316
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0446	0.3807	0.3704
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0198	0.099
Mycobacterium ulcerans	hypothetical protein	0.0179	0.1458	0.1949
Mycobacterium leprae	conserved hypothetical protein	0.0179	0.1458	0.2106
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0682	0.59	0.0472
Mycobacterium tuberculosis	Probable penicillin-binding membrane protein PbpB	0.0227	0.1878	0.1743
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0198	0.0992
Schistosoma mansoni	ran	0.0021	0.006	0.0229
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0198	0.9972
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0446	0.3807	0.5583
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0037	0.0198	0.0992
Mycobacterium ulcerans	esterase/lipase LipP	0.0179	0.1458	0.1949
Mycobacterium tuberculosis	Probable lipase LipD	0.0179	0.1458	0.1316
Schistosoma mansoni	ran	0.0021	0.006	0.0229
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0179	0.1458	0.1316

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 881921