TDR Targets

Basic information

Technical information

TDR Targets ID: 808024
Name: 4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]anili ne
MW: 353.42 | Formula: C22H19N5
H donors: 3 H acceptors: 2 LogP: 3.15 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ccc(cc1)c1cc(nc(n1)c1ccc(cc1)N)c1ccc(cc1)N
InChi: 1S/C22H19N5/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)27-22(26-20)16-5-11-19(25)12-6-16/h1-13H,23-25H2
InChiKey: OQDMEZSPCAZIQE-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

4-[2,6-bis(4-aminophenyl)-4-pyrimidinyl]aniline
[4-[2,6-bis(4-aminophenyl)pyrimidin-4-yl]phenyl]amine
CBMicro_014228
ZINC01234087
BAS 01907294
STK155931
EU-0010647
BIM-0014349.P001

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 ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.0026	0.2191
Schistosoma mansoni	protein kinase	0.0122	0.0519	0.0519
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0059	0	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.6308	0.6308
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0793	0.5976	1
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.0026	0.0026
Brugia malayi	Furin-like cysteine rich region family protein	0.0133	0.0608	0.0608
Trypanosoma brucei	subtilisin peptidase	0.0059	0	0.5
Schistosoma mansoni	subfamily S8B non-peptidase homologue (S08 family)	0.0324	0.2163	0.2163
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0291	0.5
Brugia malayi	Probable ClpP-like protease	0.0094	0.0291	0.0291
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Schistosoma mansoni	protein kinase	0.0122	0.0519	0.0519
Brugia malayi	proprotein convertase 2	0.0819	0.6187	0.6187
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0119	1
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.0291	1
Onchocerca volvulus		0.0059	0	0.5
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0324	0.2163	0.362
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.0026	0.0033
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Giardia lamblia	High cysteine membrane protein Group 2	0.0468	0.3335	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0291	0.5
Trypanosoma cruzi	serine peptidase, clan SB, family S8-like protein	0.0059	0	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0119	0.4094
Trichomonas vaginalis	neuroendocrine convertase 2 precursor, putative	0.0266	0.1685	0.282
Echinococcus multilocularis		0.1021	0.7837	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0793	0.5976	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0119	0.4094
Trypanosoma brucei	serine peptidase, clan SB, family S8-like protein	0.0059	0	0.5
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.0291	1
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Echinococcus granulosus	epidermal growth factor receptor	0.0133	0.0608	0.0608
Echinococcus multilocularis	Furin 1	0.0324	0.2163	0.276
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0324	0.2163	0.362
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0291	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Schistosoma mansoni	peptidase Clp (S14 family)	0.0094	0.0291	0.0291
Loa Loa (eye worm)	endoprotease bli-4	0.1287	1	1
Trichomonas vaginalis	hypothetical protein	0.0266	0.1685	0.282
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0324	0.2163	0.362
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0291	0.5
Echinococcus multilocularis	neuroendocrine convertase 2	0.0819	0.6187	0.7895
Trypanosoma cruzi	subtilisin peptidase	0.0059	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0291	0.0291
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.0291	0.0371
Schistosoma mansoni	furin-1 (S08 family)	0.0553	0.4024	0.4024
Loa Loa (eye worm)	hypothetical protein	0.0494	0.3546	0.3546
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase subunit type II alpha	0.0107	0.0397	0.0397
Schistosoma mansoni	protein kinase	0.0122	0.0519	0.0519
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0291	1
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0324	0.2163	0.362
Echinococcus granulosus	proprotein convertase subtilisin:kexin type 5	0.0793	0.5976	0.5976
Schistosoma mansoni	hypothetical protein	0.0266	0.1685	0.1685
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0324	0.2163	0.362
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0291	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0062	0.0026	0.0897
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.6308	0.6308
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0291	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0119	0.4094
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Loa Loa (eye worm)	proprotein convertase 2	0.0324	0.2163	0.2163
Echinococcus granulosus	neuroendocrine convertase 2	0.0819	0.6187	0.6187
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0122	0.0519	0.0519
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Brugia malayi	neuroendocrine convertase 1 precursor	0.0819	0.6187	0.6187
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0119	0.0152
Loa Loa (eye worm)	hypothetical protein	0.1287	1	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0119	0.0119
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0133	0.0608	0.0608
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0119	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.0291	0.0291
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.0291	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.0291	1
Trichomonas vaginalis	leucine-rich repeat protein, BspA family	0.0266	0.1685	0.282
Schistosoma mansoni	subfamily S8B unassigned peptidase (S08 family)	0.1287	1	1
Echinococcus granulosus	Furin 1	0.0324	0.2163	0.2163
Echinococcus granulosus	furin	0.1287	1	1
Brugia malayi	celfurPC protein	0.1021	0.7837	0.7837
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0119	0.0119
Schistosoma mansoni	tyrosine kinase	0.0133	0.0608	0.0608
Echinococcus multilocularis	epidermal growth factor receptor	0.0133	0.0608	0.0776
Trichomonas vaginalis	Clan SB, family S8, subtilisin-like serine peptidase	0.0324	0.2163	0.362
Trichomonas vaginalis	proprotein convertase subtilisin/kexin type, putative	0.0266	0.1685	0.282
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0119	0.0119
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.6308	0.8049
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0119	0.4094
Trichomonas vaginalis	conserved hypothetical protein	0.0266	0.1685	0.282
Trypanosoma cruzi	subtilisin-like serine peptidase, putative	0.0059	0	0.5
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0122	0.0519	0.0662
Echinococcus multilocularis	proprotein convertase subtilisin:kexin type 5	0.0793	0.5976	0.7625
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.0026	0.2191
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0107	0.0397	0.0397

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 808024