TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.843 | Formula: C18H20ClFN6
H donors: 3 H acceptors: 2 LogP: 3.64 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: N[C@@H]1CC[C@H](CC1)Nc1cc(Nc2ccc(c(c2)Cl)F)n2c(n1)ccn2
InChi: 1S/C18H20ClFN6/c19-14-9-13(5-6-15(14)20)24-18-10-16(25-17-7-8-22-26(17)18)23-12-3-1-11(21)2-4-12/h5-12,24H,1-4,21H2,(H,23,25)/t11-,12-
InChiKey: ZDXQLMBSNKHXCJ-HAQNSBGRSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase-activated protein kinase 5	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase kinase 1	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase-activated protein kinase 2	Starlite/ChEMBL	References
Homo sapiens	Rho-associated, coiled-coil containing protein kinase 2	Starlite/ChEMBL	References
Homo sapiens	cyclin-dependent kinase 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	protein kinase, putative,MAP kinase kinase, putative	Get druggable targets OG5_127304	All targets in OG5_127304
Echinococcus multilocularis	cyclin dependent kinase	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
Leishmania braziliensis	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	Get druggable targets OG5_127304	All targets in OG5_127304
Trypanosoma brucei	cdc2-related kinase 3	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	rho-associated protein kinase 1	Get druggable targets OG5_131020	All targets in OG5_131020
Echinococcus multilocularis	dual specificity mitogen activated protein	Get druggable targets OG5_127304	All targets in OG5_127304
Trichomonas vaginalis	CMGC family 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
Trypanosoma cruzi	cdc2-related kinase 3	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
Leishmania donovani	cdc2-related kinase 3, putative	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
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
Schistosoma mansoni	protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Leishmania braziliensis	cell division protein kinase 2,cdc2-related kinase	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
Trypanosoma congolense	cdc2-related kinase 3, putative	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
Cryptosporidium hominis	cdc2-like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	cell division control protein 2 homolog	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania donovani	mitogen-activated protein kinase kinase 5	Get druggable targets OG5_127304	All targets in OG5_127304
Schistosoma japonicum	ko:K02087 cyclin-dependent kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Leishmania mexicana	protein kinase, putative,mitogen activated protein kinase, putative	Get druggable targets OG5_127304	All targets in OG5_127304
Trichomonas vaginalis	CMGC family protein 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
Leishmania major	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	Get druggable targets OG5_127304	All targets in OG5_127304
Schistosoma japonicum	Dual specificity mitogen-activated protein kinase kinase 1, putative	Get druggable targets OG5_127304	All targets in OG5_127304
Onchocerca volvulus		Get druggable targets OG5_131020	All targets in OG5_131020
Plasmodium vivax	protein kinase Crk2	Get druggable targets OG5_126712	All targets in OG5_126712
Onchocerca volvulus		Get druggable targets OG5_131020	All targets in OG5_131020
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Trypanosoma congolense	mitogen-activated protein kinase kinase 5	Get druggable targets OG5_127304	All targets in OG5_127304
Trypanosoma congolense	cdc2-related kinase 1, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	map kinase activated protein kinase protein 2	Get druggable targets OG5_131483	All targets in OG5_131483
Trichomonas vaginalis	CMGC family protein 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 braziliensis	cell division related protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Brugia malayi	Dual specificity mitogen-activated protein kinase kinase mek-2	Get druggable targets OG5_127304	All targets in OG5_127304
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Trichomonas vaginalis	STE family protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Trypanosoma brucei	mitogen-activated protein kinase kinase 5	Get druggable targets OG5_127304	All targets in OG5_127304
Echinococcus granulosus	dual specificity mitogen activated protein	Get druggable targets OG5_127304	All targets in OG5_127304
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	Get druggable targets OG5_131483	All targets in OG5_131483
Cryptosporidium parvum	Cdc2-like CDK2/CDC28 like protein kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	ko:K04443 mitogen-activated protein kinase-activated protein kinase 2, putative	Get druggable targets OG5_131483	All targets in OG5_131483
Neospora caninum	CMGC kinase, CDK family TgPK2, putative	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	cyclin dependent kinase 5	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
Leishmania major	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_126712	All targets in OG5_126712
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Echinococcus granulosus	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483
Echinococcus multilocularis	rho associated protein kinase	Get druggable targets OG5_131020	All targets in OG5_131020
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	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
Cryptosporidium hominis	protein kinase NPK2 (EC 2.7.1.-)	Get druggable targets OG5_127304	All targets in OG5_127304
Schistosoma japonicum	ko:K02090 cyclin-dependent kinase 5, putative	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
Entamoeba histolytica	cell division protein kinase 2, putative	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
Schistosoma japonicum	Rho-associated protein kinase 1, putative	Get druggable targets OG5_131020	All targets in OG5_131020
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_131020	All targets in OG5_131020
Echinococcus multilocularis	cyclin dependent kinase 1	Get druggable targets OG5_126712	All targets in OG5_126712
Schistosoma japonicum	Dual specificity mitogen-activated protein kinase kinase 2, putative	Get druggable targets OG5_127304	All targets in OG5_127304
Giardia lamblia	Kinase, CMGC CDK	Get druggable targets OG5_126712	All targets in OG5_126712
Candida albicans	likely MAP kinase kinase that can functionally substitute for S. cerevisiae STE7 (YDL159W)	Get druggable targets OG5_127304	All targets in OG5_127304
Babesia bovis	cell division control protein 2, putative	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
Echinococcus multilocularis	cyclin dependent kinase 5	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 falciparum	protein kinase 5	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
Echinococcus granulosus	cyclin dependent kinase 1	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
Giardia lamblia	Kinase, STE STE20	Get druggable targets OG5_127304	All targets in OG5_127304
Candida albicans	member of the HOG1 MAPK cascade	Get druggable targets OG5_127304	All targets in OG5_127304
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_131020	All targets in OG5_131020
Echinococcus multilocularis	MAP kinase activated protein kinase 2	Get druggable targets OG5_131483	All targets in OG5_131483
Theileria parva	cell division control protein 2 related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	Get druggable targets OG5_131020	All targets in OG5_131020
Trypanosoma cruzi	mitogen-activated protein kinase kinase 5	Get druggable targets OG5_127304	All targets in OG5_127304
Loa Loa (eye worm)	hypothetical 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
Candida albicans	likely MAP kinase kinase that can functionally substitute for S. cerevisiae STE7 (YDL159W)	Get druggable targets OG5_127304	All targets in OG5_127304
Leishmania mexicana	cell division protein kinase 2,cdc2-related kinase	Get druggable targets OG5_126712	All targets in OG5_126712
Cryptosporidium parvum	protein kinase NPK2	Get druggable targets OG5_127304	All targets in OG5_127304
Leishmania infantum	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	Get druggable targets OG5_127304	All targets in OG5_127304
Trichomonas vaginalis	STE family protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Trichomonas vaginalis	STE family protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Trypanosoma brucei gambiense	cell division related protein kinase 2, putative,CDC2-related protein kinase	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
Leishmania donovani	cell division protein kinase 2	Get druggable targets OG5_126712	All targets in OG5_126712
Loa Loa (eye worm)	STE/STE7/MEK1 protein kinase	Get druggable targets OG5_127304	All targets in OG5_127304
Schistosoma japonicum	IPR002219,Protein kinase C, phorbol ester/diacylglycerol binding,domain-containing	Get druggable targets OG5_131020	All targets in OG5_131020
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	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 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase-activated protein kinase 2	370 aa	303 aa	26.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	serine/threonine protein kinase	0.0178	0.2466	0.7492
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0465	0.079
Trypanosoma cruzi	mitogen-activated protein kinase kinase 5	0.0092	0.0907	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0074	0.0586	0.0641
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0054	0.0229	0.0251
Echinococcus multilocularis	geminin	0.0197	0.2811	0.2642
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0182	0.0199
Leishmania major	hypothetical protein, conserved	0.0074	0.0582	0.5196
Echinococcus multilocularis	rho associated protein kinase	0.0178	0.2466	0.2289
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0582	0.0636
Brugia malayi	beta-lactamase	0.0074	0.0582	0.0636
Trypanosoma brucei	mitogen-activated protein kinase kinase 5	0.0092	0.0907	1
Trichomonas vaginalis	chromobox protein, putative	0.0074	0.0586	0.1271
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0465	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0582	0.0636
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0465	0.0241
Brugia malayi	beta-lactamase family protein	0.0074	0.0582	0.0636
Echinococcus granulosus	geminin	0.0197	0.2811	0.865
Trichomonas vaginalis	STE family protein kinase	0.0092	0.0907	0.1967
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0145	0.187	0.1799
Echinococcus granulosus	dual specificity mitogen activated protein	0.0092	0.0907	0.227
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0465	0.079
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0582	0.118
Trichomonas vaginalis	STE family protein kinase	0.0092	0.0907	0.1967
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0471	0.7745	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0297	0.4612	1
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.0057	0.0123
Echinococcus multilocularis	dual specificity mitogen activated protein	0.0092	0.0907	0.0694
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0465	0.0508
Schistosoma mansoni	chromobox protein	0.0074	0.0586	0.1196
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0582	0.1261
Brugia malayi	cell division control protein 2 homolog	0.0054	0.0229	0.0251
Brugia malayi	beta-lactamase family protein	0.0074	0.0582	0.0636
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0582	0.1261
Onchocerca volvulus		0.0074	0.0582	0.2359
Trichomonas vaginalis	chromobox protein, putative	0.0074	0.0586	0.1271
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.0582	0.036
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0465	0.0508
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0465	0.079
Brugia malayi	Protein kinase domain containing protein	0.0054	0.0229	0.0251
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0465	0.0508
Echinococcus granulosus	chromobox protein 1	0.0074	0.0586	0.1196
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0297	0.4612	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0297	0.4612	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0229	0.0497
Giardia lamblia	Kinase, STE STE20	0.0092	0.0907	0.1546
Trichomonas vaginalis	esterase, putative	0.0074	0.0582	0.1261
Echinococcus granulosus	MAP kinase activated protein kinase 2	0.022	0.3214	1
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0465	0.079
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0582	0.5196
Plasmodium falciparum	protein kinase 5	0.0054	0.0229	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0229	0.0497
Loa Loa (eye worm)	beta-lactamase	0.0074	0.0582	0.0636
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0297	0.4612	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.0057	0.023
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0054	0.0229	0.0251
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0582	0.0636
Schistosoma mansoni	serine/threonine protein kinase	0.022	0.3214	1
Echinococcus multilocularis	chromobox protein 1	0.0074	0.0586	0.0365
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.0582	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.0582	0.118
Onchocerca volvulus		0.0074	0.0582	0.2359
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0297	0.4612	1
Brugia malayi	Heterochromatin protein 1	0.0074	0.0586	0.0641
Echinococcus granulosus	chromobox protein 1	0.0074	0.0586	0.1196
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0297	0.4612	1
Brugia malayi	Dual specificity mitogen-activated protein kinase kinase mek-2	0.0092	0.0907	0.0991
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0582	0.1261
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.0057	0.0123
Brugia malayi	map kinase activated protein kinase protein 2	0.022	0.3214	0.3512
Loa Loa (eye worm)	camk/mapkapk/mapkapk protein kinase	0.022	0.3214	0.3512
Schistosoma mansoni	hypothetical protein	0.0197	0.2811	0.865
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0054	0.0229	0.0251
Toxoplasma gondii	ABC1 family protein	0.0074	0.0582	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.0582	0.0636
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0145	0.187	1
Schistosoma mansoni	protein kinase	0.0092	0.0907	0.227
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0145	0.187	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0582	0.118
Onchocerca volvulus		0.0178	0.2466	1
Brugia malayi	Protein kinase domain containing protein	0.0548	0.915	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0297	0.4612	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0465	0.079
Echinococcus granulosus	rho-associated protein kinase 1	0.0178	0.2466	0.7492
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0582	0.0636
Loa Loa (eye worm)	STE/STE7/MEK1 protein kinase	0.0092	0.0907	0.0991
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0297	0.4612	1
Echinococcus multilocularis	MAP kinase activated protein kinase 2	0.022	0.3214	0.3055
Schistosoma mansoni	hypothetical protein	0.0197	0.2811	0.865
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0229	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0582	0.0636
Onchocerca volvulus		0.0175	0.2419	0.981
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0548	0.915	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0297	0.4612	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0582	0.5196
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0582	0.1261
Brugia malayi	TAR-binding protein	0.0067	0.0465	0.0508
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.0582	0.0636
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0297	0.4612	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0297	0.4612	1
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.0582	0.5196
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0582	0.1261
Brugia malayi	RNA binding protein	0.0067	0.0465	0.0508
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0582	0.0636
Trichomonas vaginalis	STE family protein kinase	0.0092	0.0907	0.1967
Giardia lamblia	Fructose-bisphosphate aldolase	0.0297	0.4612	1
Schistosoma mansoni	chromobox protein	0.0074	0.0586	0.1196
Onchocerca volvulus		0.0074	0.0582	0.2359
Echinococcus multilocularis	chromobox protein 1	0.0074	0.0586	0.0365
Leishmania major	mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860	0.0092	0.0907	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0465	0.079

Activities

Activity type	Activity value	Assay description	Source	Reference
CL (ADMET)	= 59 microL/min/mg	Intrinsic clearance in mouse liver microsomes	ChEMBL.	22746295
IC50 (binding)	= 0.055 uM	Inhibition of CDK2 after 60 mins using [33P]-gamma-ATP by liquid scintillation counter	ChEMBL.	22746295
IC50 (binding)	= 1.3 uM	Inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP after 30 mins by liquid scintillation counter	ChEMBL.	22746295
IC50 (binding)	= 4.9 uM	Inhibition of MEK1	ChEMBL.	22746295
IC50 (binding)	= 11 uM	Inhibition of PRAK	ChEMBL.	22746295
IC50 (binding)	= 14 uM	Inhibition of ROK2	ChEMBL.	22746295
IC50 (binding)	= 23 uM	Inhibition of GSK3beta	ChEMBL.	22746295
IC50 (binding)	= 25 uM	Inhibition of JNK2	ChEMBL.	22746295
IC50 (binding)	> 100 uM	Inhibition of P38alpha	ChEMBL.	22746295
IC50 (binding)	= 300 uM	Inhibition of LCK	ChEMBL.	22746295
Ki (binding)	= 6 uM	Competitive inhibition of MAPKAP-K2 using KKLNRTLSVA as substrate and [33P]-gamma-ATP by Lineweaver-Burke plot analysis	ChEMBL.	22746295
Papp (ADMET)	= 7.1 ucm/s	Apparent permeability across apical to basolateral side in human Caco2 cells	ChEMBL.	22746295

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: CHEMBL2163999

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 1681592