TDR Targets

Basic information

Technical information

TDR Targets ID: 1611143
Name: 6-methyl-N-(pyridin-4-ylmethylideneamino)-2-( trichloromethyl)quinazolin-4-amine
MW: 380.659 | Formula: C16H12Cl3N5
H donors: 1 H acceptors: 3 LogP: 4.44 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)c(N/N=C/c1ccncc1)nc(n2)C(Cl)(Cl)Cl
InChi: 1S/C16H12Cl3N5/c1-10-2-3-13-12(8-10)14(23-15(22-13)16(17,18)19)24-21-9-11-4-6-20-7-5-11/h2-9H,1H3,(H,22,23,24)/b21-9+
InChiKey: KCLYSTLOSLKTMX-ZVBGSRNCSA-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

6-methyl-N-(4-pyridylmethyleneamino)-2-(trichloromethyl)quinazolin-4-amine
6-methyl-N-(4-pyridylmethyleneamino)-2-(trichloromethyl)-4-quinazolinamine
[6-methyl-2-(trichloromethyl)quinazolin-4-yl]-(4-pyridylmethyleneamino)amine
SMR000354570
T0501-4752
MLS001018286

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.0276	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0028	0.0007	0.039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.005	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.0276	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.01	0.01
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0059	0.006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.005	0.1803
Loa Loa (eye worm)	RNA binding protein	0.0065	0.01	0.0101
Echinococcus granulosus	tumor protein p63	0.0345	0.0814	0.0817
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0063	0.0097	0.0333
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1165	0.2901	0.2912
Loa Loa (eye worm)	hypothetical protein	0.1165	0.2901	0.2912
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0007	0.0007
Brugia malayi	Protein kinase domain containing protein	0.1179	0.2938	0.2938
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0106	0.0207	0.6934
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0134	0.0276	0.0951
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0189	0.684
Schistosoma mansoni	protein kinase	0.1179	0.2938	0.2938
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0189	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.0276	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0079	0.0137	0.4963
Brugia malayi	Temporarily assigned gene name protein 59	0.1165	0.2901	0.2901
Brugia malayi	RNA binding protein	0.0065	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0189	0.684
Schistosoma mansoni	protein kinase	0.2789	0.7034	0.7034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0119	0.4316
Echinococcus multilocularis	tumor protein p63	0.0345	0.0814	0.1157
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.2789	0.7034	0.706
Loa Loa (eye worm)	phosphatidylinositol 3	0.0134	0.0276	0.0277
Schistosoma mansoni	cellular tumor antigen P53	0.0051	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.1165	0.2901	0.2912
Echinococcus multilocularis	lamin dm0	0.0026	0.0003	0.0004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0087	0.0157	0.5673
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0007	0.0266
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0134	0.0276	0.0276
Schistosoma mansoni	protein kinase	0.3954	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0045	0.005	0.0172
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.002	0.002
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0003	0.0003
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0059	0.0059
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0107	0.0209	0.0297
Onchocerca volvulus		0.0051	0.0064	0.0213
Echinococcus granulosus	intermediate filament protein	0.0026	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0059	0.006
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.005	0.1803
Giardia lamblia	GTOR	0.0134	0.0276	0.5
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0134	0.0276	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.005	0.1803
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1179	0.2938	0.2948
Echinococcus granulosus	Vam6:Vps39 protein	0.1165	0.2901	0.2912
Brugia malayi	hypothetical protein	0.0107	0.0209	0.0209
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0045	0.005	0.0071
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.01	0.0101
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0045	0.005	0.0172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0164	0.594
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.01	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.0206	0.7477
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0139	0.5037
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.005	0.005
Schistosoma mansoni	microtubule-associated protein tau	0.2762	0.6967	0.6967
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0045	0.005	0.0172
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.1179	0.2938	0.4176
Echinococcus granulosus	tar DNA binding protein	0.0065	0.01	0.0101
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0134	0.0276	0.0392
Entamoeba histolytica	hypothetical protein	0.0107	0.0209	0.756
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0134	0.0276	0.0276
Echinococcus granulosus	lamin dm0	0.0026	0.0003	0.0003
Schistosoma mansoni	serine/threonine protein kinase	0.1179	0.2938	0.2938
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1165	0.2901	1
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.01	0.0143
Entamoeba histolytica	hypothetical protein	0.0107	0.0209	0.756
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0064	0.0064
Schistosoma mansoni	lamin	0.0026	0.0003	0.0003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0119	0.4327
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1165	0.2901	0.2901
Echinococcus multilocularis	microtubule associated protein 2	0.2762	0.6967	0.9903
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0189	0.684
Brugia malayi	hypothetical protein	0.1165	0.2901	0.2901
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1165	0.2901	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0045	0.005	0.0172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.0206	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0139	0.5037
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1165	0.2901	0.2901
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0134	0.0276	0.0951
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0119	0.4327
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1179	0.2938	0.2948
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.0206	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0119	0.4327
Trypanosoma cruzi	target of rapamycin kinase 3	0.0106	0.0207	0.0712
Entamoeba histolytica	hypothetical protein	0.0107	0.0209	0.756
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0226	0.8197
Schistosoma mansoni	hypothetical protein	0.0107	0.0209	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0005	0.0005
Schistosoma mansoni	transcription factor LCR-F1	0.0107	0.0209	0.0209
Echinococcus granulosus	protein kinase	0.2789	0.7034	0.706
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.005	0.005
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0003	0.0003
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.1179	0.2938	0.2948
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0134	0.0276	0.0951
Brugia malayi	intermediate filament protein	0.0026	0.0003	0.0003
Schistosoma mansoni	serine/threonine protein kinase	0.1179	0.2938	0.2938
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0106	0.0207	0.0712
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0003	0.0003
Brugia malayi	TAR-binding protein	0.0065	0.01	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.0206	0.7477
Loa Loa (eye worm)	hypothetical protein	0.1165	0.2901	0.2912
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.0206	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0119	0.4327
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.01	0.01
Echinococcus multilocularis		0.2789	0.7034	1
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1165	0.2901	0.4124
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0134	0.0276	0.0277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.005	0.1803
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0056	0.0077	0.0265
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1179	0.2938	0.4176
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0134	0.0276	0.0951
Loa Loa (eye worm)	MH2 domain-containing protein	0.0361	0.0856	0.0859
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0045	0.005	0.005
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0107	0.0209	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0139	0.5037
Onchocerca volvulus		0.1165	0.2901	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0001	0.0001
Echinococcus multilocularis	musashi	0.0026	0.0003	0.0004
Echinococcus multilocularis	lamin	0.0026	0.0003	0.0004
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0099	0.0189	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0045	0.005	0.005
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0027	0.0976
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0134	0.0276	1
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1179	0.2938	0.4176
Schistosoma mansoni	rap gtpase-activating protein	0.1165	0.2901	0.2901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0189	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0189	0.684
Entamoeba histolytica	hypothetical protein	0.0107	0.0209	0.756
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0119	0.4316
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0134	0.0276	1
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.01	0.01
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0059	0.0059
Schistosoma mansoni	lamin	0.0026	0.0003	0.0003
Brugia malayi	MH2 domain containing protein	0.0361	0.0856	0.0856
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.394	0.9964	1
Echinococcus granulosus	lamin	0.0026	0.0003	0.0003
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0134	0.0276	1
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.1179	0.2938	0.2948
Echinococcus granulosus	microtubule associated protein 2	0.2762	0.6967	0.6992
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0189	0.684
Schistosoma mansoni	hypothetical protein	0.0033	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.1165	0.2901	0.2901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0079	0.0137	0.4963
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1165	0.2901	1
Loa Loa (eye worm)	hypothetical protein	0.394	0.9964	1
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0003	0.0003
Schistosoma mansoni	vam6/vps39 related	0.1165	0.2901	0.2901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0072	0.0119	0.4316
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0003	0.0003
Loa Loa (eye worm)	transcription factor SMAD2	0.0361	0.0856	0.0859
Loa Loa (eye worm)	hypothetical protein	0.0033	0.002	0.002

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	16.5113 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	58.4789 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1973441

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 1611143