TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 459.5 | Formula: C24H25N7O3
H donors: 3 H acceptors: 4 LogP: 3.26 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)c1nc(Nc2cccc(c2)NC(=O)N2CCCC2)nc2c1nc[nH]2
InChi: 1S/C24H25N7O3/c1-33-18-9-8-15(12-19(18)34-2)20-21-22(26-14-25-21)30-23(29-20)27-16-6-5-7-17(13-16)28-24(32)31-10-3-4-11-31/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,28,32)(H2,25,26,27,29,30)
InChiKey: GWXOQRCTLWPCOU-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cyclin-dependent kinase 3	Starlite/ChEMBL	References
Homo sapiens	3-phosphoinositide dependent protein kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_128785	All targets in OG5_128785
Echinococcus granulosus	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium parvum	Cdc2-like CDK2/CDC28 like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K02090 cyclin-dependent kinase 5, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	Get druggable targets OG5_128785	All targets in OG5_128785
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium yoelii	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	AGC/PDK1 protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Trypanosoma brucei gambiense	cell division related protein kinase 2, putative,CDC2-related protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma congolense	cdc2-related kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade	Get druggable targets OG5_128785	All targets in OG5_128785
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania infantum	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K02087 cyclin-dependent kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma congolense	cdc2-related kinase 3, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania braziliensis	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Echinococcus granulosus	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	AGC/PDK1 protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium berghei	cdc2-related kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium vivax	protein kinase Crk2	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K06276 3-phosphoinositide dependent protein kinase-1, putative	Get druggable targets OG5_128785	All targets in OG5_128785
Echinococcus multilocularis	cyclin dependent kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium knowlesi	Cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei gambiense	cell division protein kinase 2 homolog 1,cdc2- like protein kinase, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma cruzi	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Neospora caninum	CMGC kinase, CDK family TgPK2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Theileria parva	cell division control protein 2 related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania braziliensis	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade	Get druggable targets OG5_128785	All targets in OG5_128785
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	cell division protein kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Babesia bovis	cell division control protein 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_128785	All targets in OG5_128785
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_128785	All targets in OG5_128785
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	Get druggable targets OG5_128785	All targets in OG5_128785
Entamoeba histolytica	cell division protein kinase 2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania major	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trypanosoma brucei	cdc2-related kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Plasmodium falciparum	protein kinase 5	Get druggable targets OG5_126712	All targets in OG5_126712
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium hominis	cdc2-like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	Protein kinase that can substitute for S. cerevisiae CDC28 (YBR160W) main cell cycle cyclin-dependent kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	phosphoinositide-dependent protein kinase I	Get druggable targets OG5_128785	All targets in OG5_128785
Brugia malayi	cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712

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	cyclin-dependent kinase 3	305 aa	303 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0239	0.2082	1
Plasmodium vivax	vivapain-3	0.0136	0.0844	0.4054
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.007	0.0064	0.0064
Entamoeba histolytica	cysteine proteinase, putative	0.0169	0.1238	0.5946
Brugia malayi	Cathepsin L-like precursor	0.0239	0.2082	0.2082
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0323	0.3093	1
Trypanosoma cruzi	cruzipain precursor, putative	0.007	0.0064	0.0064
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Plasmodium vivax	vivapain-2	0.0239	0.2082	1
Brugia malayi	Cathepsin L-like precursor	0.0169	0.1238	0.1238
Loa Loa (eye worm)	cysteine protease	0.0239	0.2082	0.2082
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Toxoplasma gondii	cathepsin B	0.0323	0.3093	1
Onchocerca volvulus		0.0169	0.1238	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Trypanosoma cruzi	cruzipain precursor, putative	0.0239	0.2082	0.2082
Entamoeba histolytica	cysteine proteinase, putative	0.0136	0.0844	0.4054
Echinococcus granulosus	cathepsin l1	0.0169	0.1238	0.1238
Schistosoma mansoni	cathepsin F (C01 family)	0.0239	0.2082	0.2082
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1238	0.1238
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0136	0.0844	0.0844
Loa Loa (eye worm)	cathepsin B	0.0323	0.3093	0.3093
Trypanosoma cruzi	cysteine peptidase, putative	0.0239	0.2082	0.2082
Brugia malayi	cathepsin L-like precursor	0.0169	0.1238	0.1238
Onchocerca volvulus		0.0239	0.2082	1
Entamoeba histolytica	cysteine proteinase, putative	0.0136	0.0844	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Brugia malayi	Papain family cysteine protease containing protein	0.0136	0.0844	0.0844
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0323	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0136	0.0844	0.0844
Brugia malayi	Papain family cysteine protease containing protein	0.0136	0.0844	0.0844
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0239	0.2082	0.2082
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0136	0.0844	0.0844
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.09	1	1
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0239	0.2082	0.6732
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0239	0.2082	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0239	0.2082	0.2082
Toxoplasma gondii	cathepsin CPL	0.0239	0.2082	0.6732
Trypanosoma cruzi	cysteine peptidase, putative	0.0239	0.2082	0.2082
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Schistosoma mansoni	cathepsin F (C01 family)	0.0169	0.1238	0.1238
Entamoeba histolytica	cysteine proteinase, putative	0.0239	0.2082	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Plasmodium vivax	vivapain-1	0.0136	0.0844	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.09	1	1
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Echinococcus multilocularis	cathepsin b	0.09	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Echinococcus multilocularis	cathepsin b	0.09	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.007	0.0064	0.0064
Loa Loa (eye worm)	fibroinase	0.0239	0.2082	0.2082
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Echinococcus granulosus	cathepsin b	0.09	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0169	0.1238	0.1238
Entamoeba histolytica	cysteine proteinase 2	0.0136	0.0844	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0169	0.1238	0.4003
Loa Loa (eye worm)	hypothetical protein	0.0239	0.2082	0.2082
Onchocerca volvulus		0.0239	0.2082	1
Entamoeba histolytica	cysteine proteinase, putative	0.0136	0.0844	0.4054
Giardia lamblia	Cathepsin B precursor	0.0323	0.3093	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0239	0.2082	0.2082
Brugia malayi	Cathepsin L-like precursor	0.0239	0.2082	0.2082
Trypanosoma cruzi	cysteine peptidase, putative	0.0239	0.2082	0.2082
Plasmodium vivax	unspecified product	0.007	0.0064	0.0306
Onchocerca volvulus		0.0239	0.2082	1
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Onchocerca volvulus		0.0239	0.2082	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0239	0.2082	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.09	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0239	0.2082	0.6732
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0239	0.2082	0.2082
Trypanosoma cruzi	cysteine protease, putative	0.0136	0.0844	0.0844
Brugia malayi	Cathepsin L-like precursor	0.0239	0.2082	0.2082
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Onchocerca volvulus		0.0239	0.2082	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0136	0.0844	0.2729
Trypanosoma cruzi	cysteine proteinase, putative	0.0136	0.0844	0.0844
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Schistosoma mansoni	cathepsin F (C01 family)	0.0239	0.2082	0.2082
Echinococcus granulosus	cathepsin L	0.0136	0.0844	0.0844
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Echinococcus granulosus	cathepsin l1	0.0239	0.2082	0.2082
Onchocerca volvulus	Cathepsin F homolog	0.0239	0.2082	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0239	0.2082	0.2082
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Schistosoma mansoni	cathepsin s	0.007	0.0064	0.0064
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Onchocerca volvulus		0.0239	0.2082	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Giardia lamblia	Cathepsin B precursor	0.0323	0.3093	1
Onchocerca volvulus	Cathepsin L homolog	0.0239	0.2082	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0136	0.0844	0.2729
Brugia malayi	cathepsin F-like cysteine proteinase	0.007	0.0064	0.0064
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.007	0.0064	0.0064
Brugia malayi	Cathepsin L-like precursor	0.007	0.0064	0.0064
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0239	0.2082	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0323	0.3093	0.3093
Brugia malayi	Cathepsin L-like precursor	0.0239	0.2082	0.2082
Entamoeba histolytica	cysteine protease, putative	0.0239	0.2082	1
Onchocerca volvulus	Cathepsin L homolog	0.0239	0.2082	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0239	0.2082	0.2082
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1238	0.1238
Entamoeba histolytica	cysteine proteinase, putative	0.0239	0.2082	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Brugia malayi	Cathepsin L-like precursor	0.0169	0.1238	0.1238
Loa Loa (eye worm)	ctsf protein	0.0239	0.2082	0.2082
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0136	0.0844	0.0844
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0323	0.3093	1
Echinococcus multilocularis	cathepsin L	0.0136	0.0844	0.0844
Plasmodium vivax	unspecified product	0.0136	0.0844	0.4054
Plasmodium vivax	vivapain-2	0.0239	0.2082	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.09	1	1
Brugia malayi	Cathepsin L-like precursor	0.0239	0.2082	0.2082
Loa Loa (eye worm)	hypothetical protein	0.09	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Echinococcus granulosus	cathepsin b	0.09	1	1
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.09	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0136	0.0844	0.4054
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0169	0.1238	0.1238
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Echinococcus granulosus	cysteine protease	0.0136	0.0844	0.0844
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Echinococcus multilocularis	cysteine protease	0.0239	0.2082	0.2082
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Entamoeba histolytica	cysteine proteinase 1, putative	0.0136	0.0844	0.4054
Loa Loa (eye worm)	hypothetical protein	0.007	0.0064	0.0064
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0169	0.1238	0.4003
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0323	0.3093	0.3093
Echinococcus multilocularis	cysteine protease	0.0239	0.2082	0.2082
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0239	0.2082	0.5505
Trypanosoma cruzi	cysteine proteinase, putative	0.0136	0.0844	0.0844
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0239	0.2082	0.6732
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0136	0.0844	0.0844
Echinococcus granulosus	cathepsin L cysteine protease	0.0136	0.0844	0.0844
Brugia malayi	Papain family cysteine protease containing protein	0.0239	0.2082	0.2082
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0136	0.0844	0.4054
Giardia lamblia	Cathepsin B precursor	0.0323	0.3093	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0239	0.2082	0.2082
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1238	0.1238
Trypanosoma cruzi	cysteine peptidase, putative	0.0239	0.2082	0.2082
Brugia malayi	Cathepsin L-like precursor	0.0239	0.2082	0.2082
Loa Loa (eye worm)	hypothetical protein	0.007	0.0064	0.0064
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0239	0.2082	0.6732
Entamoeba histolytica	cysteine protease, putative	0.0136	0.0844	0.4054
Loa Loa (eye worm)	hypothetical protein	0.007	0.0064	0.0064
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0239	0.2082	0.2082

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.17 uM	Inhibition of PDK1 assessed as [gamma-33P]ATP incorporation into substrate after 1 hr by scintillation counting	ChEMBL.	22437109
IC50 (binding)	> 10 uM	Inhibition of CDK2 using RbING as substrate after 2 hrs by luminescence assay	ChEMBL.	22437109

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: CHEMBL2023196

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1641643