TDR Targets

Basic information

Technical information

TDR Targets ID: 113463
Name: 4-[1-methyl-2-piperidin-4-yl-5-[3-(trifluorom ethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenyle thyl]pyrimidin-2-amine
MW: 506.565 | Formula: C28H29F3N6
H donors: 2 H acceptors: 3 LogP: 4.9 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Cn1c(c2cccc(c2)C(F)(F)F)c(nc1C1CCNCC1)c1ccnc(n1)N[C@H](c1ccccc1)C
InChi: 1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)24-25(21-9-6-10-22(17-21)28(29,30)31)37(2)26(36-24)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
InChiKey: PCKXBLGVAVDUJM-SFHVURJKSA-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-[1-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
4-[1-methyl-2-(4-piperidinyl)-5-[3-(trifluoromethyl)phenyl]-4-imidazolyl]-N-[(1S)-1-phenylethyl]-2-pyrimidinamine
[4-[1-methyl-2-(4-piperidyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidin-2-yl]-[(1S)-1-phenylethyl]amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase 12		References
Homo sapiens	mitogen-activated protein kinase 11		References
Homo sapiens	mitogen-activated protein kinase 14		References
Homo sapiens	mitogen-activated protein kinase 13	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	P38 map kinase family protein 2	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania infantum	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma congolense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania donovani	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei gambiense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania mexicana	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 12	357 aa	362 aa	30.1 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 11	364 aa	361 aa	33.0 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 14	360 aa	336 aa	33.3 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 13	365 aa	366 aa	30.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Cathepsin L precursor	0.0101	0.0256	0.1092
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Plasmodium falciparum	plasmepsin VI	0.0144	0.0433	0.2018
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0256	0.0712
Leishmania major	cathepsin L-like protease	0.0435	0.1634	0.9441
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.007	0.013	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin F-like cysteine peptidase	0.0101	0.0256	0.0842
Loa Loa (eye worm)	hypothetical protein	0.03	0.1075	0.2987
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0101	0.0256	0.0842
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0119	0.033	0.033
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0136	0.04	0.111
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0236	0.0815	0.43
Entamoeba histolytica	hypothetical protein	0.0101	0.0256	0.0842
Plasmodium falciparum	serine repeat antigen 1	0.0101	0.0256	0.0842
Leishmania major	cathepsin L-like protease	0.0435	0.1634	0.9441
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0457	0.1723	0.4785
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0433	0.1203
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0435	0.1634	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0101	0.0256	0.0842
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Onchocerca volvulus		0.0435	0.1634	1
Echinococcus multilocularis	microtubule associated protein 2	0.0682	0.265	0.736
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0236	0.0815	0.4555
Loa Loa (eye worm)	cysteine protease	0.0435	0.1634	0.4538
Trypanosoma cruzi	metacaspase, putative	0.0119	0.033	0.0577
Plasmodium falciparum	plasmepsin I	0.0144	0.0433	0.2018
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0435	0.1634	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0435	0.1634	0.4538
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0101	0.0256	0.0842
Schistosoma mansoni	cathepsin F (C01 family)	0.0435	0.1634	0.1634
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0913	0.36	0.36
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0256	0.0712
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0435	0.1634	0.4538
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0256	0.0842
Entamoeba histolytica	cysteine proteinase, putative	0.0435	0.1634	1
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0144	0.0433	0.2018
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0457	0.1723	0.4591
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Echinococcus granulosus	cathepsin L	0.0101	0.0256	0.0712
Loa Loa (eye worm)	fibroinase	0.0435	0.1634	0.4538
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0352	0.1291	0.1291
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0101	0.0256	0.0842
Echinococcus granulosus	cysteine protease	0.0236	0.0815	0.2263
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0236	0.0815	0.1974
Echinococcus multilocularis	cathepsin b	0.0913	0.36	1
Plasmodium vivax	unspecified product	0.0136	0.04	0.1795
Entamoeba histolytica	cysteine protease, putative	0.0101	0.0256	0.0842
Plasmodium falciparum	metacaspase 1	0.0119	0.033	0.1332
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0236	0.0815	0.0815
Trypanosoma cruzi	major cysteine proteinase, putative	0.0101	0.0256	0.0365
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Brugia malayi	fibroinase precursor	0.0101	0.0256	0.0712
Echinococcus multilocularis	cathepsin L cysteine protease	0.0435	0.1634	0.4538
Trypanosoma brucei	metacaspase MCA2	0.0119	0.033	0.1257
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0101	0.0256	0.0842
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Plasmodium vivax	serine-repeat antigen 5 (SERA)	0.0101	0.0256	0.0842
Plasmodium falciparum	serine repeat antigen 7	0.0101	0.0256	0.0842
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0101	0.0256	0.0256
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0913	0.36	0.36
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.03	0.1075	0.6287
Onchocerca volvulus		0.0435	0.1634	1
Loa Loa (eye worm)	hypothetical protein	0.0136	0.04	0.111
Echinococcus granulosus	cathepsin b	0.0913	0.36	1
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Onchocerca volvulus	Cathepsin L homolog	0.0435	0.1634	1
Entamoeba histolytica	cysteine proteinase, putative	0.03	0.1075	0.6287
Schistosoma mansoni	caspase-7 (C14 family)	0.0269	0.0948	0.0948
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.033	0.1332
Loa Loa (eye worm)	hypothetical protein	0.03	0.1075	0.2987
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0101	0.0256	0.0842
Plasmodium vivax	vivapain-2	0.0435	0.1634	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0457	0.1723	0.4785
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0136	0.04	0.111
Plasmodium vivax	serine-repeat antigen 3 (SERA)	0.0101	0.0256	0.0842
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Toxoplasma gondii	cathepsin CPC1	0.0101	0.0256	0.0842
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0101	0.0256	0.0842
Loa Loa (eye worm)	hypothetical protein	0.0913	0.36	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0101	0.0256	0.0842
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Giardia lamblia	Hypothetical protein	0.0101	0.0256	0.1092
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0101	0.0256	0.0842
Plasmodium falciparum	serine repeat antigen 3	0.0101	0.0256	0.0842
Loa Loa (eye worm)	hypothetical protein	0.0435	0.1634	0.4538
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0144	0.0433	0.2018
Plasmodium falciparum	serine repeat antigen 6	0.0101	0.0256	0.0842
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0101	0.0256	0.0842
Schistosoma mansoni	caspase-3 (C14 family)	0.0269	0.0948	0.0948
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0435	0.1634	0.4538
Entamoeba histolytica	cysteine proteinase 2	0.0236	0.0815	0.4555
Entamoeba histolytica	cysteine protease, putative	0.0101	0.0256	0.0842
Brugia malayi	Cathepsin L-like precursor	0.0435	0.1634	0.4538
Onchocerca volvulus		0.0435	0.1634	1
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.007	0.013	0.036
Plasmodium falciparum	metacaspase-like protein	0.0119	0.033	0.1332
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0457	0.1723	0.4785
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0144	0.0433	0.1203
Loa Loa (eye worm)	hypothetical protein	0.0136	0.04	0.111
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0236	0.0815	0.0815
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.03	0.1075	0.2725
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Trypanosoma brucei	metacaspase	0.0119	0.033	0.1257
Giardia lamblia	Cathepsin L precursor	0.0101	0.0256	0.1092
Plasmodium vivax	dipeptidyl aminopeptidase 3, putative	0.0101	0.0256	0.0842
Trypanosoma cruzi	cysteine peptidase, putative	0.0435	0.1634	0.4334
Schistosoma mansoni	caspase-7 (C14 family)	0.0161	0.0505	0.0505
Onchocerca volvulus	Cathepsin F homolog	0.0435	0.1634	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0435	0.1634	0.4334
Echinococcus multilocularis	caspase 8	0.0119	0.033	0.0916
Trypanosoma cruzi	cysteine protease, putative	0.0236	0.0815	0.1974
Echinococcus multilocularis	cysteine protease	0.0435	0.1634	0.4538
Entamoeba histolytica	cysteine proteinase, putative	0.0435	0.1634	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0435	0.1634	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Plasmodium falciparum	plasmepsin II	0.0144	0.0433	0.2018
Trypanosoma cruzi	cysteine peptidase, putative	0.0435	0.1634	0.4334
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0101	0.0256	0.0712
Leishmania major	cathepsin L-like protease	0.0435	0.1634	0.9441
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Leishmania major	cysteine peptidase A (CPA)	0.0435	0.1634	0.9441
Trichomonas vaginalis	Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase	0.0101	0.0256	0.0842
Giardia lamblia	Cathepsin B precursor	0.0352	0.1291	1
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.007	0.013	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0101	0.0256	0.0842
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0144	0.0433	0.0433
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.033	0.1332
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Giardia lamblia	Cathepsin L-like protease	0.0101	0.0256	0.1092
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Trypanosoma brucei	metacaspase MCA3	0.0119	0.033	0.1257
Giardia lamblia	Cathepsin L precursor	0.0101	0.0256	0.1092
Plasmodium vivax	serine-repeat antigen (SERA), putative	0.0101	0.0256	0.0842
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.033	0.1332
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Giardia lamblia	Cathepsin B precursor	0.0101	0.0256	0.1092
Toxoplasma gondii	aspartyl protease ASP1	0.0144	0.0433	0.2018
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Brugia malayi	Cathepsin L-like precursor	0.0435	0.1634	0.4538
Echinococcus granulosus	cathepsin L	0.0236	0.0815	0.2263
Loa Loa (eye worm)	cysteine proteinase cathepsin Z	0.0101	0.0256	0.0712
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0101	0.0256	0.0256
Echinococcus multilocularis	cathepsin L	0.0236	0.0815	0.2263
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0144	0.0433	0.1203
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0352	0.1291	0.7287
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0352	0.1291	0.7718
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0256	0.0712
Brugia malayi	Cell death protein 3 precursor	0.0161	0.0505	0.1402
Plasmodium vivax	metacaspase 1, putative	0.0119	0.033	0.1332
Mycobacterium ulcerans	proteasome PrcB	0.007	0.013	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0435	0.1634	1
Giardia lamblia	Cathepsin B precursor	0.0101	0.0256	0.1092
Trypanosoma cruzi	cysteine peptidase, putative	0.0435	0.1634	0.4334
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Onchocerca volvulus		0.0435	0.1634	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0435	0.1634	0.4538
Echinococcus granulosus	microtubule associated protein 2	0.0682	0.265	0.736
Echinococcus multilocularis	cathepsin L cysteine protease	0.0435	0.1634	0.4538
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0101	0.0256	0.0712
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Entamoeba histolytica	cysteine proteinase, putative	0.0236	0.0815	0.4555
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0101	0.0256	0.0842
Trypanosoma cruzi	metacaspase, putative	0.0119	0.033	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0136	0.04	0.111
Schistosoma mansoni	cathepsin s	0.0136	0.04	0.04
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0256	0.0712
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.033	0.1332
Giardia lamblia	Hypothetical protein	0.0101	0.0256	0.1092
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Echinococcus granulosus	caspase	0.0269	0.0948	0.2633
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0352	0.1291	0.3345
Brugia malayi	Cathepsin L-like cysteine proteinase	0.03	0.1075	0.2987
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0256	0.0712
Brugia malayi	hypothetical protein	0.0042	0.0016	0.0045
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.03	0.1075	0.6287
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Brugia malayi	cahepsin L-like non-peptiedase homolog	0.0101	0.0256	0.0712
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0913	0.36	0.36
Echinococcus granulosus	proteasome prosome macropain	0.007	0.013	0.036
Brugia malayi	cathepsin L precursor	0.0101	0.0256	0.0712
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0256	0.0712
Brugia malayi	Cathepsin L-like precursor	0.0136	0.04	0.111
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0913	0.36	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Brugia malayi	Papain family cysteine protease containing protein	0.0236	0.0815	0.2263
Trypanosoma cruzi	cysteine proteinase, putative	0.0236	0.0815	0.1974
Leishmania major	metacaspase, putative	0.0119	0.033	0.1257
Echinococcus multilocularis	caspase 3	0.015	0.0459	0.1275
Brugia malayi	Papain family cysteine protease containing protein	0.0101	0.0256	0.0712
Brugia malayi	Papain family cysteine protease containing protein	0.0435	0.1634	0.4538
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0101	0.0256	0.0256
Giardia lamblia	Cysteine protease	0.0101	0.0256	0.1092
Trypanosoma cruzi	cruzipain precursor, putative	0.0136	0.04	0.0778
Onchocerca volvulus	Cathepsin L homolog	0.0435	0.1634	1
Brugia malayi	Cathepsin L-like precursor	0.0435	0.1634	0.4538
Echinococcus granulosus	mitogen activated protein kinase 11	0.0457	0.1723	0.4785
Loa Loa (eye worm)	hypothetical protein	0.03	0.1075	0.2987
Schistosoma mansoni	cathepsin F (C01 family)	0.03	0.1075	0.1075
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0236	0.0815	0.43
Giardia lamblia	Cathepsin B precursor	0.0352	0.1291	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Leishmania major	cathepsin L-like protease	0.0435	0.1634	0.9441
Toxoplasma gondii	cathepsin B	0.0352	0.1291	0.7718
Brugia malayi	cathepsin F-like cysteine proteinase	0.0136	0.04	0.111
Brugia malayi	Cathepsin L-like precursor	0.03	0.1075	0.2987
Schistosoma mansoni	microtubule-associated protein tau	0.0682	0.265	0.265
Giardia lamblia	Cathepsin B-like cysteine proteinase 3 precursor	0.0101	0.0256	0.1092
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0236	0.0815	0.1974
Schistosoma mansoni	cathepsin C	0.0101	0.0256	0.0256
Giardia lamblia	Cathepsin B precursor	0.0101	0.0256	0.1092
Schistosoma mansoni	hypothetical protein	0.0167	0.0531	0.0531
Brugia malayi	Papain family cysteine protease containing protein	0.0236	0.0815	0.2263
Loa Loa (eye worm)	hypothetical protein	0.0119	0.033	0.0916
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0101	0.0256	0.0842
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0236	0.0815	0.4555
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0101	0.0256	0.0842
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0269	0.0948	0.2633
Echinococcus granulosus	cathepsin L cysteine protease	0.0236	0.0815	0.2263
Trypanosoma cruzi	major cysteine proteinase, putative	0.0101	0.0256	0.0365
Echinococcus granulosus	caspase 3	0.015	0.0459	0.1275
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0435	0.1634	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0256	0.0842
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0101	0.0256	0.0842
Brugia malayi	cathepsin L-like cysteine proteinase	0.0101	0.0256	0.0712
Brugia malayi	Cathepsin L-like precursor	0.03	0.1075	0.2987
Entamoeba histolytica	cysteine protease, putative	0.0101	0.0256	0.0842
Entamoeba histolytica	papain family cysteine protease domain containing protein	0.0101	0.0256	0.0842
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0269	0.0948	0.2633
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0101	0.0256	0.1092
Echinococcus multilocularis	caspase	0.0269	0.0948	0.2633
Giardia lamblia	Cysteine protease	0.0101	0.0256	0.1092
Trypanosoma cruzi	metacaspase 5, putative	0.0119	0.033	0.0577
Plasmodium vivax	aspartyl proteinase, putative	0.0144	0.0433	0.2018
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or H-like cysteine peptidase	0.0101	0.0256	0.0842
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0101	0.0256	0.1092
Plasmodium falciparum	serine repeat antigen 9	0.0101	0.0256	0.0842
Brugia malayi	P38 map kinase family protein 2	0.0457	0.1723	0.4785
Echinococcus granulosus	apoptotic protease activating factor 1	0.0042	0.0016	0.0045
Plasmodium vivax	serine-repeat antigen 2 (SERA)	0.0101	0.0256	0.0842
Echinococcus multilocularis	proteasome (prosome, macropain)	0.007	0.013	0.036
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0435	0.1634	0.4538
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Schistosoma mansoni	cathepsin F (C01 family)	0.0435	0.1634	0.1634
Schistosoma mansoni	hypothetical protein	0.0042	0.0016	0.0016
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0913	0.36	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Plasmodium vivax	unspecified product	0.0101	0.0256	0.0842
Trypanosoma brucei	Metacaspase-4	0.0119	0.033	0.1257
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0457	0.1723	0.4785
Loa Loa (eye worm)	cathepsin B	0.0352	0.1291	0.3584
Trypanosoma cruzi	metacaspase 5, putative	0.0119	0.033	0.0577
Brugia malayi	cathepsin F-like cysteine proteinase	0.0101	0.0256	0.0712
Onchocerca volvulus		0.0435	0.1634	1
Onchocerca volvulus		0.0042	0.0016	0.0099
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Brugia malayi	Papain family cysteine protease containing protein	0.0101	0.0256	0.0712
Giardia lamblia	Cathepsin B precursor	0.0101	0.0256	0.1092
Brugia malayi	Papain family cysteine protease containing protein	0.0101	0.0256	0.0712
Echinococcus multilocularis	cathepsin b	0.0913	0.36	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0101	0.0256	0.0842
Entamoeba histolytica	cysteine protease, putative	0.0101	0.0256	0.0842
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0435	0.1634	0.4538
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0101	0.0256	0.0842
Trypanosoma brucei	metacaspase 5, putative	0.0119	0.033	0.1257
Giardia lamblia	Cathepsin L precursor	0.0101	0.0256	0.1092
Echinococcus granulosus	caspase 2	0.0161	0.0505	0.1402
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0119	0.033	0.1332
Schistosoma mansoni	cathepsin B (C01 family)	0.0101	0.0256	0.0256
Echinococcus multilocularis	geminin	0.0167	0.0531	0.1474
Trypanosoma cruzi	metacaspase, putative	0.0119	0.033	0.0577
Echinococcus multilocularis	cathepsin L	0.0101	0.0256	0.0712
Echinococcus granulosus	geminin	0.0167	0.0531	0.1474
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0119	0.033	0.1332
Plasmodium vivax	serine-repeat antigen (SERA)	0.0101	0.0256	0.0842
Loa Loa (eye worm)	ctsf protein	0.0435	0.1634	0.4538
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0101	0.0256	0.0712
Trichomonas vaginalis	Clan CA, family C1, cathepsin H-like cysteine peptidase	0.0101	0.0256	0.0842
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0016	0.0045
Plasmodium falciparum	serine repeat antigen 2	0.0101	0.0256	0.0842
Brugia malayi	cathepsin L-like precursor	0.03	0.1075	0.2987
Trypanosoma cruzi	cruzipain precursor, putative	0.0435	0.1634	0.4334
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Loa Loa (eye worm)	hypothetical protein	0.0161	0.0505	0.1402
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0101	0.0256	0.0842
Entamoeba histolytica	cysteine protease, putative	0.0101	0.0256	0.0842
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Giardia lamblia	Encystation-specific protease	0.0101	0.0256	0.1092
Brugia malayi	Proteasome A-type and B-type family protein	0.007	0.013	0.036
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0101	0.0256	0.0256
Entamoeba histolytica	cysteine proteinase 1, putative	0.0236	0.0815	0.4555
Plasmodium falciparum	dipeptidyl aminopeptidase 3	0.0101	0.0256	0.0842
Leishmania major	cathepsin L-like protease	0.0435	0.1634	0.9441
Onchocerca volvulus	Cell death protein 3 homolog	0.0161	0.0505	0.3091
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0352	0.1291	0.7287
Giardia lamblia	Cysteine protease	0.0101	0.0256	0.1092
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0101	0.0256	0.0842
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0042	0.0016	0.0045
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0119	0.033	0.1332
Brugia malayi	cathepsin Z-like cysteine proteinase	0.0101	0.0256	0.0712
Brugia malayi	Cathepsin L-like precursor	0.0435	0.1634	0.4538
Plasmodium vivax	hypothetical protein, conserved	0.0119	0.033	0.1332
Giardia lamblia	Cathepsin L precursor	0.0101	0.0256	0.1092
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0448	0.1688	0.1688
Giardia lamblia	Cathepsin B precursor	0.0352	0.1291	1
Plasmodium falciparum	serine repeat antigen 8	0.0101	0.0256	0.0842
Echinococcus multilocularis	caspase 2	0.0161	0.0505	0.1402
Schistosoma mansoni	cathepsin S (C01 family)	0.0101	0.0256	0.0256
Giardia lamblia	Cathepsin L precursor	0.0101	0.0256	0.1092
Plasmodium vivax	serine-repeat antigen (SERA)	0.0101	0.0256	0.0842
Entamoeba histolytica	cysteine proteinase, putative	0.0236	0.0815	0.4555
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.033	0.1332
Echinococcus granulosus	cathepsin l1	0.0435	0.1634	0.4538
Brugia malayi	Cathepsin L-like precursor	0.0435	0.1634	0.4538
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Plasmodium falciparum	serine repeat antigen 4	0.0101	0.0256	0.0842
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0119	0.033	0.0916
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0435	0.1634	1
Giardia lamblia	Cathepsin L-like protease	0.0101	0.0256	0.1092
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0236	0.0815	0.4555
Schistosoma mansoni	hypothetical protein	0.0167	0.0531	0.0531
Trichomonas vaginalis	conserved hypothetical protein	0.0119	0.033	0.1332
Entamoeba histolytica	cysteine protease, putative	0.0101	0.0256	0.0842
Giardia lamblia	Cysteine protease	0.0101	0.0256	0.1092
Entamoeba histolytica	cysteine proteinase, putative	0.0236	0.0815	0.4555
Plasmodium vivax	serine-repeat antigen 4 (SERA)	0.0101	0.0256	0.0842
Leishmania major	cathepsin L-like protease	0.0435	0.1634	0.9441
Plasmodium vivax	plasmepsin IV, putative	0.0144	0.0433	0.2018
Entamoeba histolytica	cysteine proteinase, putative	0.0236	0.0815	0.4555
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0457	0.1723	1
Brugia malayi	Cathepsin L-like precursor	0.0435	0.1634	0.4538
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.007	0.013	0.013
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Echinococcus granulosus	mitogen activated protein kinase 14	0.0457	0.1723	0.4785
Schistosoma mansoni	subfamily C1A non-peptidase homologue (C01 family)	0.0101	0.0256	0.0256
Plasmodium vivax	vivapain-2	0.0435	0.1634	1
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0457	0.1723	1
Echinococcus multilocularis	cysteine protease	0.0435	0.1634	0.4538
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0435	0.1634	0.9441
Onchocerca volvulus		0.0101	0.0256	0.1569
Plasmodium vivax	serine-repeat antigen 4 (SERA), putative	0.0101	0.0256	0.0842
Leishmania major	cathepsin L-like protease	0.0435	0.1634	0.9441
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0236	0.0815	0.0815
Schistosoma mansoni	subfamily C1A unassigned peptidase (C01 family)	0.0101	0.0256	0.0256
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0913	0.36	0.36
Onchocerca volvulus		0.03	0.1075	0.6582
Echinococcus granulosus	caspase 8	0.0119	0.033	0.0916
Echinococcus granulosus	cathepsin b	0.0913	0.36	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0457	0.1723	0.4785
Plasmodium falciparum	plasmepsin IV	0.0144	0.0433	0.2018
Trypanosoma cruzi	cysteine peptidase, putative	0.0136	0.04	0.0778
Echinococcus granulosus	cathepsin l1	0.03	0.1075	0.2987
Trypanosoma cruzi	cysteine peptidase, putative	0.0236	0.0815	0.1974
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0101	0.0256	0.0842
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0144	0.0433	0.1203
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0101	0.0256	0.1092
Schistosoma mansoni	cathepsin D (A01 family)	0.0424	0.1587	0.1587
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0457	0.1723	0.4591
Trypanosoma cruzi	metacaspase, putative	0.0119	0.033	0.0577
Entamoeba histolytica	cysteine protease, putative	0.0435	0.1634	1
Giardia lamblia	Cathepsin B precursor	0.0101	0.0256	0.1092
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0101	0.0256	0.0256
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Entamoeba histolytica	cysteine protease, putative	0.0236	0.0815	0.4555
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0101	0.0256	0.0256
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0119	0.033	0.1332
Leishmania major	cathepsin L-like protease	0.0435	0.1634	0.9441
Schistosoma mansoni	cathepsin D (A01 family)	0.0424	0.1587	0.1587
Toxoplasma gondii	cathepsin CPC2	0.0101	0.0256	0.0842
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0101	0.0256	0.0256
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0435	0.1634	1
Plasmodium vivax	unspecified product	0.0236	0.0815	0.4555
Plasmodium vivax	vivapain-3	0.0236	0.0815	0.4555
Toxoplasma gondii	cathepsin CPL	0.0435	0.1634	1
Plasmodium vivax	vivapain-1	0.0236	0.0815	0.4555
Onchocerca volvulus		0.0435	0.1634	1
Onchocerca volvulus	Cathepsin L homolog	0.0101	0.0256	0.1569
Plasmodium falciparum	serine repeat antigen 5	0.0101	0.0256	0.0842
Onchocerca volvulus		0.0435	0.1634	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1220 nM	Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase)	ChEMBL.	10377223
IC50 (binding)	= 1220 nM	Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase)	ChEMBL.	10377223
IC50 (binding)	= 12000 nM	Inhibition of Mitogen-activated protein kinase p38	ChEMBL.	11844702
IC50 (binding)	= 12000 nM	Inhibition of Mitogen-activated protein kinase p38	ChEMBL.	11844702
IC50 (functional)	= 24000 nM	Inhibition of LPS-induced release of Tumor necrosis factor-alpha (TNF-alpha) from human whole blood	ChEMBL.	10377223
IC50 (functional)	= 24000 nM	Inhibition of LPS-induced release of Tumor necrosis factor-alpha (TNF-alpha) from human whole blood	ChEMBL.	10377223
Inhibition (binding)	= 26 %	Inhibition of human RAF kinase at 5000 nM	ChEMBL.	10377223
Inhibition (binding)	= 26 %	Inhibition of human RAF kinase at 5000 nM	ChEMBL.	10377223
Inhibition (binding)	= 37 %	Inhibition of c-Jun N-terminal kinase 2-alpha 1 at 40000 nM	ChEMBL.	10377223
Inhibition (binding)	= 37 %	Inhibition of c-Jun N-terminal kinase 2-alpha 1 at 40000 nM	ChEMBL.	10377223

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: CHEMBL305749
PubChem: 10505761

Bibliographic References

2 literature references were 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 113463