TDR Targets

Basic information

Technical information

TDR Targets ID: 796761
Name: 1-[3-[4-(5-chloro-2-methylphenyl)piperazin-1- yl]propyl]-3-(4-fluorophenyl)urea
MW: 404.909 | Formula: C21H26ClFN4O
H donors: 2 H acceptors: 1 LogP: 4.01 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)F)NCCCN1CCN(CC1)c1cc(Cl)ccc1C
InChi: 1S/C21H26ClFN4O/c1-16-3-4-17(22)15-20(16)27-13-11-26(12-14-27)10-2-9-24-21(28)25-19-7-5-18(23)6-8-19/h3-8,15H,2,9-14H2,1H3,(H2,24,25,28)
InChiKey: NAEYMSXWKBQETF-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

1-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propyl]-3-(4-fluorophenyl)urea
1-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]propyl]-3-(4-fluorophenyl)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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0139	0.1672
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0027	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0689	0.0664
Schistosoma mansoni	hypothetical protein	0.0031	0.0227	0.02
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0227	0.02
Leishmania major	cathepsin L-like protease	0.0062	0.0695	1
Onchocerca volvulus	Huntingtin homolog	0.0124	0.1649	0.5
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0027	0.5
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0783	0.2007
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0027	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0227	0.053
Echinococcus granulosus	GPCR family 2	0.0031	0.0227	0.02
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0056	0.0613	0.877
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0139	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0139	0.0297
Onchocerca volvulus	Huntingtin homolog	0.0124	0.1649	0.5
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0027	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0139	0.1672
Schistosoma mansoni	hypothetical protein	0.0335	0.4895	0.4881
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0053	0.0566	0.1431
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0566	0.1431
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0689	0.0664
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0027	0.5
Trypanosoma cruzi	major cysteine proteinase, putative	0.0048	0.0492	0.6965
Brugia malayi	hypothetical protein	0.0124	0.1649	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0227	0.02
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.1262	0.7653
Loa Loa (eye worm)	hypothetical protein	0.0263	0.3792	1
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0689	0.0664
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0695	1
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0118	0.1566	0.1544
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0566	0.1431
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0139	1
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0227	0.1374
Brugia malayi	TAR-binding protein	0.0061	0.0689	0.4177
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0783	0.4747
Schistosoma mansoni	hypothetical protein	0.0031	0.0227	0.02
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0695	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.1262	0.7653
Loa Loa (eye worm)	voltage-gated potassium channel	0.0116	0.1536	0.4007
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0689	0.0664
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Echinococcus multilocularis	microtubule associated protein 2	0.0667	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0689	0.1757
Schistosoma mansoni	hypothetical protein	0.0031	0.0227	0.02
Leishmania major	hypothetical protein, conserved	0.0025	0.0139	0.1672
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0227	0.1374
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0118	0.1566	0.95
Leishmania major	cathepsin L-like protease	0.0062	0.0695	1
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0118	0.1566	0.1544
Schistosoma mansoni	hypothetical protein	0.0031	0.0227	0.02
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0027	0.0163
Schistosoma mansoni	hypothetical protein	0.0067	0.0783	0.0758
Loa Loa (eye worm)	hypothetical protein	0.0263	0.3792	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0027	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0689	0.1757
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0118	0.1566	0.1544
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0689	0.0664
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0027	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.1262	0.328
Loa Loa (eye worm)	hypothetical protein	0.0263	0.3792	1
Brugia malayi	RNA binding protein	0.0061	0.0689	0.4177
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0227	0.053
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0689	0.0664
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0139	0.0297
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0227	0.02
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0689	0.4177
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0263	0.3792	1
Schistosoma mansoni	microtubule-associated protein tau	0.0667	1	1
Echinococcus multilocularis	geminin	0.0335	0.4895	0.4881
Echinococcus granulosus	potassium voltage gated channel subfamily KQT	0.0053	0.0566	0.054
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1649	0.4307
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0689	0.1757
Toxoplasma gondii	hypothetical protein	0.0263	0.3792	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1649	0.4307
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0695	1
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0053	0.0566	0.054
Echinococcus granulosus	geminin	0.0335	0.4895	0.4881
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0027	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Leishmania major	cathepsin L-like protease	0.0062	0.0695	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0139	1
Schistosoma mansoni	hypothetical protein	0.0335	0.4895	0.4881
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1262	0.328
Brugia malayi	hypothetical protein	0.0025	0.0139	0.0841
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0695	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0227	0.02
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0227	0.02
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0689	0.0664
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0695	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0139	0.1672

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 796761