TDR Targets

Basic information

Technical information

TDR Targets ID: 619404
Name: 3-(4-chlorophenyl)-1-(3-methylphenyl)-1-(6,7, 8,9-tetrahydro-5H-[1,2,4]triazolo[4,5-a]azepi n-3-ylmethyl)urea
MW: 409.912 | Formula: C22H24ClN5O
H donors: 1 H acceptors: 3 LogP: 3.77 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)N(C(=O)Nc1ccc(cc1)Cl)Cc1nnc2n1CCCCC2
InChi: 1S/C22H24ClN5O/c1-16-6-5-7-19(14-16)28(22(29)24-18-11-9-17(23)10-12-18)15-21-26-25-20-8-3-2-4-13-27(20)21/h5-7,9-12,14H,2-4,8,13,15H2,1H3,(H,24,29)
InChiKey: HSWVNRJGGJNIAQ-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

ZINC01409678
Oprea1_661271
STOCK2S-38901

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 esterase LipL	0.0036	0.0175	0.0564
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0457	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0175	0.0564
Trypanosoma brucei	PAB1-binding protein , putative	0.0055	0.0457	1
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0114	0.0112
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0114	0.0112
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0114	0.0112
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0114	0.0112
Echinococcus granulosus	lamin	0.0086	0.0909	0.0908
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0175	0.0372
Loa Loa (eye worm)	TAR-binding protein	0.034	0.4705	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.3108	1
Schistosoma mansoni	intermediate filament proteins	0.0086	0.0909	0.193
Schistosoma mansoni	tar DNA-binding protein	0.034	0.4705	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0114	0.0239
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0886	0.1882
Onchocerca volvulus		0.0086	0.0909	0.7915
Onchocerca volvulus		0.0036	0.0175	0.1525
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0175	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0175	0.0372
Plasmodium vivax	ataxin-2 like protein, putative	0.0055	0.0457	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0041	0.0248	0.0246
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.034	0.4705	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0248	0.0527
Brugia malayi	Intermediate filament tail domain containing protein	0.0086	0.0909	0.1932
Loa Loa (eye worm)	MH2 domain-containing protein	0.0249	0.3341	0.7101
Schistosoma mansoni	tar DNA-binding protein	0.034	0.4705	1
Brugia malayi	hypothetical protein	0.0072	0.0711	0.1511
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0674	0.1433
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0175	0.0564
Loa Loa (eye worm)	RNA binding protein	0.034	0.4705	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0175	1
Schistosoma mansoni	cellular tumor antigen P53	0.0102	0.1149	0.2439
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1149	0.2441
Schistosoma mansoni	lamin	0.0086	0.0909	0.193
Schistosoma mansoni	tar DNA-binding protein	0.034	0.4705	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0175	0.037
Mycobacterium ulcerans	lipase LipD	0.0036	0.0175	1
Schistosoma mansoni	lamin	0.0086	0.0909	0.193
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0175	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0175	0.0372
Leishmania major	hypothetical protein, conserved	0.0036	0.0175	0.3834
Onchocerca volvulus		0.0086	0.0909	0.7915
Loa Loa (eye worm)	intermediate filament protein	0.0086	0.0909	0.1932
Schistosoma mansoni	hypothetical protein	0.0032	0.0114	0.0239
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0175	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.1157	0.2459
Schistosoma mansoni	hypothetical protein	0.0032	0.0114	0.0239
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0114	0.0242
Echinococcus multilocularis	tumor protein p63	0.0695	1	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0086	0.0909	0.1932
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.1157	0.2459
Schistosoma mansoni	hypothetical protein	0.0032	0.0114	0.0239
Brugia malayi	beta-lactamase	0.0036	0.0175	0.0372
Entamoeba histolytica	hypothetical protein	0.0072	0.0711	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0175	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0175	0.0372
Echinococcus multilocularis	lamin dm0	0.0086	0.0909	0.0908
Loa Loa (eye worm)	hypothetical protein	0.004	0.0224	0.0477
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0175	0.0174
Echinococcus granulosus	lamin dm0	0.0086	0.0909	0.0908
Brugia malayi	beta-lactamase family protein	0.0036	0.0175	0.0372
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0457	0.0971
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0175	0.0564
Leishmania major	hypothetical protein, conserved	0.0055	0.0457	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0175	0.0372
Brugia malayi	beta-lactamase family protein	0.0036	0.0175	0.0372
Schistosoma mansoni	hypothetical protein	0.007	0.0674	0.143
Entamoeba histolytica	hypothetical protein	0.0072	0.0711	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0114	0.0112
Onchocerca volvulus		0.0102	0.1149	1
Brugia malayi	intermediate filament protein	0.0086	0.0909	0.1932
Loa Loa (eye worm)	hypothetical protein	0.004	0.0224	0.0477
Echinococcus multilocularis	lamin	0.0086	0.0909	0.0908
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0457	0.5
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0175	0.0372
Schistosoma mansoni	tar DNA-binding protein	0.034	0.4705	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0175	0.0372
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.1157	0.2459
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0175	0.0564
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0114	0.0242
Echinococcus granulosus	tar DNA binding protein	0.034	0.4705	0.4704
Schistosoma mansoni	tar DNA-binding protein	0.034	0.4705	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0457	0.5
Schistosoma mansoni	hypothetical protein	0.0072	0.0711	0.1508
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0175	0.0564
Toxoplasma gondii	LsmAD domain-containing protein	0.0055	0.0457	1
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1157	0.2459
Brugia malayi	RNA recognition motif domain containing protein	0.034	0.4705	1
Brugia malayi	MH2 domain containing protein	0.0249	0.3341	0.7101
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0175	0.0564
Brugia malayi	hypothetical protein	0.0036	0.0164	0.0349
Entamoeba histolytica	hypothetical protein	0.0072	0.0711	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0046	0.0316	0.0671
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0175	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0249	0.3341	0.7101
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0175	0.0372
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0175	0.0564
Brugia malayi	hypothetical protein	0.0055	0.0457	0.0971
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0175	0.037
Echinococcus granulosus	GPCR family 2	0.0032	0.0114	0.0112
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0175	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0175	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0175	0.0564
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0175	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0457	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0674	0.1433
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0175	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0114	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0909	0.1932
Echinococcus granulosus	intermediate filament protein	0.0086	0.0909	0.0908
Trichomonas vaginalis	esterase, putative	0.0036	0.0175	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0175	0.0564
Echinococcus multilocularis	tar DNA binding protein	0.034	0.4705	0.4704
Brugia malayi	RNA binding protein	0.034	0.4705	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0711	0.0709
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0041	0.0248	0.0246
Entamoeba histolytica	hypothetical protein	0.0072	0.0711	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0175	0.5
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0175	1
Onchocerca volvulus		0.0036	0.0175	0.1525
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0711	0.0709
Brugia malayi	cytoplasmic intermediate filament protein	0.0046	0.0316	0.0671
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0175	0.5
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0114	0.0242
Echinococcus multilocularis	musashi	0.0086	0.0909	0.0908
Onchocerca volvulus		0.0036	0.0175	0.1525
Brugia malayi	TAR-binding protein	0.034	0.4705	1
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0711	0.1508

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 619404