TDR Targets

Basic information

Technical information

TDR Targets ID: 27862
Name: 1-(3,4-dichlorophenyl)-2-[4-[3-(diethylaminom ethyl)-4-methoxyanilino]-6-(trifluoromethyl)p yrimidin-2-yl]guanidine
MW: 556.411 | Formula: C24H26Cl2F3N7O
H donors: 3 H acceptors: 2 LogP: 5.57 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CCN(Cc1cc(ccc1OC)Nc1nc(/N=C(/Nc2ccc(c(c2)Cl)Cl)\N)nc(c1)C(F)(F)F)CC
InChi: 1S/C24H26Cl2F3N7O/c1-4-36(5-2)13-14-10-15(7-9-19(14)37-3)31-21-12-20(24(27,28)29)33-23(34-21)35-22(30)32-16-6-8-17(25)18(26)11-16/h6-12H,4-5,13H2,1-3H3,(H4,30,31,32,33,34,35)
InChiKey: OXDCYGKFRKMQAJ-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-dichlorophenyl)-2-[4-[3-(diethylaminomethyl)-4-methoxy-anilino]-6-(trifluoromethyl)pyrimidin-2-yl]guanidine
1-(3,4-dichlorophenyl)-2-[4-[3-(diethylaminomethyl)-4-methoxyanilino]-6-(trifluoromethyl)-2-pyrimidinyl]guanidine
1-(3,4-dichlorophenyl)-2-[4-[[3-(diethylaminomethyl)-4-methoxy-phenyl]amino]-6-(trifluoromethyl)pyrimidin-2-yl]guanidine
1-(3,4-dichlorophenyl)-2-[4-[[3-(diethylaminomethyl)-4-methoxyphenyl]amino]-6-(trifluoromethyl)pyrimidin-2-yl]guanidine
1-(3,4-dichlorophenyl)-2-[4-[[3-(diethylaminomethyl)-4-methoxyphenyl]amino]-6-(trifluoromethyl)-2-pyrimidinyl]guanidine
1-[3,4-Dichlorophenyl]-3-[4-[3-[[diethylamino]methyl]-p-anisidinyl]-6-trifluoromethyl-2-pyrimidinyl]guanidine

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
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0159	0.0564	0.0509
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0964	1	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0182	0.0832	0.1357
Trypanosoma cruzi	cysteine peptidase, putative	0.0327	0.2537	0.2091
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0327	0.2537	0.2493
Leishmania major	cathepsin L-like protease	0.0327	0.2537	0.8577
Loa Loa (eye worm)	hypothetical protein	0.0361	0.2935	0.2935
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0327	0.2537	1
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1375	0.1375
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Treponema pallidum	ATP-dependent RNA helicase	0.0159	0.0564	0.5
Echinococcus granulosus	cathepsin L cysteine protease	0.0182	0.0832	0.0778
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Plasmodium vivax	vivapain-2	0.0327	0.2537	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0182	0.0832	0.0284
Onchocerca volvulus	Cathepsin L homolog	0.0327	0.2537	1
Echinococcus granulosus	cathepsin l1	0.0327	0.2537	0.2493
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0159	0.0564	0.0564
Echinococcus granulosus	cathepsin L	0.0182	0.0832	0.0778
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Toxoplasma gondii	cathepsin CPL	0.0327	0.2537	0.8577
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0182	0.0832	0.1357
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Giardia lamblia	Cathepsin B precursor	0.0355	0.2865	1
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0159	0.0564	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0327	0.2537	0.2537
Onchocerca volvulus		0.0327	0.2537	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Onchocerca volvulus		0.0327	0.2537	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Leishmania major	cathepsin L-like protease	0.0327	0.2537	0.8577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Brugia malayi	Cathepsin L-like precursor	0.0327	0.2537	0.2537
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.0832	0.1357
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0116	0.0059	0.0059
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0228	0.1375	0.0859
Onchocerca volvulus		0.0327	0.2537	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Echinococcus multilocularis	cathepsin b	0.0964	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0355	0.2865	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Loa Loa (eye worm)	hypothetical protein	0.0154	0.0504	0.0504
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.0832	0.1357
Onchocerca volvulus		0.0327	0.2537	1
Brugia malayi	Papain family cysteine protease containing protein	0.0182	0.0832	0.0832
Loa Loa (eye worm)	hypothetical protein	0.0154	0.0504	0.0504
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0327	0.2537	0.2493
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.0832	0.1357
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0361	0.2935	0.2935
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Trypanosoma cruzi	cysteine peptidase, putative	0.0327	0.2537	0.2091
Trypanosoma cruzi	cruzipain precursor, putative	0.0327	0.2537	0.2091
Loa Loa (eye worm)	ctsf protein	0.0327	0.2537	0.2537
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0964	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0159	0.0564	0.0296
Loa Loa (eye worm)	cathepsin B	0.0355	0.2865	0.2865
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0355	0.2865	0.2438
Trypanosoma cruzi	cysteine proteinase, putative	0.0182	0.0832	0.0284
Trypanosoma cruzi	cysteine peptidase, putative	0.0327	0.2537	0.2091
Trypanosoma cruzi	cysteine peptidase, putative	0.0182	0.0832	0.0284
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0159	0.0564	0.0509
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0182	0.0832	0.0832
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0228	0.1375	0.1375
Echinococcus multilocularis	cathepsin b	0.0964	1	1
Brugia malayi	eukaryotic initiation factor 4A	0.0159	0.0564	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1375	0.1375
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0182	0.0832	0.0284
Onchocerca volvulus		0.0327	0.2537	1
Brugia malayi	Cathepsin L-like precursor	0.0228	0.1375	0.1375
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0964	1	1
Brugia malayi	Cathepsin L-like precursor	0.0327	0.2537	0.2537
Leishmania major	cathepsin L-like protease	0.0327	0.2537	0.8577
Onchocerca volvulus	Cathepsin F homolog	0.0327	0.2537	1
Echinococcus granulosus	cathepsin b	0.0964	1	1
Toxoplasma gondii	cathepsin B	0.0355	0.2865	1
Echinococcus granulosus	cathepsin l1	0.0228	0.1375	0.1324
Brugia malayi	Cathepsin L-like precursor	0.0327	0.2537	0.2537
Loa Loa (eye worm)	fibroinase	0.0327	0.2537	0.2537
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.0832	0.1357
Schistosoma mansoni	cathepsin F (C01 family)	0.0228	0.1375	0.1375
Plasmodium vivax	unspecified product	0.0182	0.0832	0.1357
Onchocerca volvulus	Cathepsin L homolog	0.0327	0.2537	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0355	0.2865	1
Echinococcus multilocularis	cathepsin L	0.0182	0.0832	0.0778
Brugia malayi	Cathepsin L-like precursor	0.0228	0.1375	0.1375
Leishmania major	cathepsin L-like protease	0.0327	0.2537	0.8577
Entamoeba histolytica	cysteine proteinase, putative	0.0327	0.2537	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0327	0.2537	0.2493
Leishmania major	cysteine peptidase A (CPA)	0.0327	0.2537	0.8577
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Onchocerca volvulus		0.0228	0.1375	0.4281
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0327	0.2537	1
Brugia malayi	Cathepsin L-like precursor	0.0327	0.2537	0.2537
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0154	0.0504	0.0504
Schistosoma mansoni	cathepsin F (C01 family)	0.0327	0.2537	0.2537
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Brugia malayi	Cathepsin L-like precursor	0.0327	0.2537	0.2537
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0159	0.0564	0.0564
Echinococcus multilocularis	cathepsin L cysteine protease	0.0327	0.2537	0.2493
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Echinococcus multilocularis	cysteine protease	0.0327	0.2537	0.2493
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0182	0.0832	0.1164
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0355	0.2865	1
Echinococcus granulosus	cysteine protease	0.0182	0.0832	0.0778
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0327	0.2537	0.2537
Loa Loa (eye worm)	cysteine protease	0.0327	0.2537	0.2537
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0964	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0182	0.0832	0.0832
Entamoeba histolytica	cysteine proteinase 2	0.0182	0.0832	0.1357
Loa Loa (eye worm)	hypothetical protein	0.0964	1	1
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0159	0.0564	0.5
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0116	0.0059	0.0059
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0154	0.0504	0.0504
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Entamoeba histolytica	cysteine proteinase, putative	0.0327	0.2537	1
Entamoeba histolytica	cysteine proteinase, putative	0.0228	0.1375	0.4107
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0355	0.2865	0.2865
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0159	0.0564	0.0509
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0327	0.2537	0.2537
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0361	0.2935	0.2935
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0327	0.2537	0.2493
Brugia malayi	Papain family cysteine protease containing protein	0.0182	0.0832	0.0832
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0327	0.2537	1
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0327	0.2537	0.8577
Onchocerca volvulus		0.0327	0.2537	1
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0327	0.2537	0.2493
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Plasmodium vivax	vivapain-1	0.0182	0.0832	0.1357
Giardia lamblia	Cathepsin B precursor	0.0355	0.2865	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0327	0.2537	0.2091
Leishmania major	cathepsin L-like protease	0.0327	0.2537	0.8577
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0159	0.0564	0.0509
Onchocerca volvulus		0.0327	0.2537	1
Trypanosoma cruzi	cysteine protease, putative	0.0182	0.0832	0.0284
Leishmania major	cathepsin L-like protease	0.0327	0.2537	0.8577
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Plasmodium vivax	vivapain-3	0.0182	0.0832	0.1357
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1375	0.3523
Giardia lamblia	Cathepsin B precursor	0.0355	0.2865	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Brugia malayi	cathepsin L-like precursor	0.0228	0.1375	0.1375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Echinococcus granulosus	cathepsin b	0.0964	1	1
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1375	0.1375
Entamoeba histolytica	cysteine protease, putative	0.0327	0.2537	1
Brugia malayi	Cathepsin L-like precursor	0.0327	0.2537	0.2537
Echinococcus multilocularis	cysteine protease	0.0327	0.2537	0.2493
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0327	0.2537	0.8577
Schistosoma mansoni	cathepsin F (C01 family)	0.0327	0.2537	0.2537
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0327	0.2537	0.8577
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0964	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0182	0.0832	0.1164
Leishmania major	cathepsin L-like protease	0.0327	0.2537	0.8577
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0182	0.0832	0.0832
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Plasmodium vivax	vivapain-2	0.0327	0.2537	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0182	0.0832	0.1164
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0327	0.2537	0.8577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0182	0.0832	0.1164
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0327	0.2537	0.8577
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0228	0.1375	0.3523
Entamoeba histolytica	cysteine protease, putative	0.0182	0.0832	0.1357
Leishmania major	cathepsin L-like protease	0.0327	0.2537	0.8577
Brugia malayi	Trypsin family protein	0.0154	0.0504	0.0504
Brugia malayi	Papain family cysteine protease containing protein	0.0327	0.2537	0.2537

Activities

Activity type	Activity value	Assay description	Source	Reference
Reduction of live worms (functional)	= 100 %	Antifilarial activity against L. carinii infections in the Jird at dose 25 mg/kg administered orally	ChEMBL.	6887202
Reduction of live worms (functional)	= 100 %	Antifilarial activity against L. carinii infections in the Jird at dose 3 mg/kg administered orally	ChEMBL.	6887202
Reduction of live worms (functional)	= 100 %	Antifilarial activity against L. carinii infections in the Jird at dose 100 mg/kg administered subcutaneously	ChEMBL.	6887202
Reduction of live worms (functional)	= 100 %	Antifilarial activity against L. carinii infections in the Jird at dose 25 mg/kg administered subcutaneously	ChEMBL.	6887202

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

ChEMBL: CHEMBL22309
PubChem: 9604436

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 27862