TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.526 | Formula: C25H25N9O
H donors: 1 H acceptors: 5 LogP: 3.54 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cn1ncc(c1)c1ccc2c(c1C)nc(nc2)Nc1ccc(cc1)n1cnc(n1)N1CCOCC1
InChi: 1S/C25H25N9O/c1-17-22(19-14-28-32(2)15-19)8-3-18-13-26-24(30-23(17)18)29-20-4-6-21(7-5-20)34-16-27-25(31-34)33-9-11-35-12-10-33/h3-8,13-16H,9-12H2,1-2H3,(H,26,29,30)
InChiKey: LYOQNNXXHVGLRC-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	mitogen-activated protein kinase 10	Starlite/ChEMBL	References
Homo sapiens	jun proto-oncogene	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	bZIP transcription factor family protein	Get druggable targets OG5_131442	All targets in OG5_131442
Echinococcus multilocularis	jun protein	Get druggable targets OG5_131442	All targets in OG5_131442
Schistosoma japonicum	ko:K04440 c-Jun N-terminal kinase, putative	Get druggable targets OG5_129677	All targets in OG5_129677
Schistosoma japonicum	IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing	Get druggable targets OG5_129677	All targets in OG5_129677
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	Get druggable targets OG5_131442	All targets in OG5_131442
Echinococcus granulosus	jun protein	Get druggable targets OG5_131442	All targets in OG5_131442
Echinococcus granulosus	c-Jun N-terminal kinases	Get druggable targets OG5_129677	All targets in OG5_129677
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	Get druggable targets OG5_131442	All targets in OG5_131442
Brugia malayi	Stress-activated protein kinase jnk-1	Get druggable targets OG5_129677	All targets in OG5_129677
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131442	All targets in OG5_131442
Echinococcus multilocularis	c Jun NH2 terminal kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129677	All targets in OG5_129677

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
Brugia malayi	tubulin alpha-2 chain	0.0461	0.7353	0.7353
Trichomonas vaginalis	tubulin alpha chain, putative	0.0612	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0186	0.2527	0.0629
Echinococcus multilocularis	tubulin alpha chain	0.0461	0.7353	0.7353
Leishmania major	gamma-tubulin	0.0376	0.586	0.0817
Echinococcus granulosus	beta tubulin	0.0612	1	1
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Brugia malayi	tubulin alpha chain - mouse	0.0461	0.7353	0.7353
Trichomonas vaginalis	tubulin beta chain, putative	0.0461	0.7353	0.6681
Leishmania major	beta tubulin	0.0612	1	1
Leishmania major	beta tubulin	0.0612	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0612	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0186	0.2527	0.0629
Trypanosoma brucei	alpha tubulin	0.0461	0.7353	0.6459
Schistosoma mansoni	hypothetical protein	0.0082	0.07	0.07
Trichomonas vaginalis	tubulin, putative	0.019	0.2586	0.0704
Trypanosoma cruzi	alpha tubulin, putative	0.0461	0.7353	0.4129
Trichomonas vaginalis	tubulin gamma chain, putative	0.0376	0.5852	0.4799
Echinococcus granulosus	tubulin alpha 1C chain	0.0461	0.7353	0.7353
Echinococcus multilocularis	tubulin alpha chain	0.0461	0.7353	0.7353
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0461	0.7353	0.7064
Echinococcus multilocularis	tubulin alpha	0.0344	0.5299	0.5299
Echinococcus granulosus	Tubulin beta 2C chain	0.0612	1	1
Loa Loa (eye worm)	hypothetical protein	0.0303	0.4581	0.3989
Trichomonas vaginalis	tubulin beta chain, putative	0.0186	0.2527	0.0629
Trypanosoma brucei	beta tubulin	0.0612	1	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0461	0.7353	0.6434
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0612	1	1
Plasmodium falciparum	alpha tubulin 1	0.0461	0.7353	0.6681
Leishmania major	beta tubulin	0.0612	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0376	0.5852	0.0798
Trypanosoma cruzi	tubulin gamma chain	0.0376	0.586	0.0817
Trypanosoma brucei	beta tubulin	0.0612	1	1
Echinococcus multilocularis	tubulin epsilon chain	0.0376	0.5852	0.5852
Loa Loa (eye worm)	BEN-1 protein	0.0612	1	1
Schistosoma mansoni	alpha tubulin	0.0461	0.7353	0.7353
Echinococcus multilocularis	tubulin alpha 3 chain	0.0461	0.7353	0.7353
Schistosoma mansoni	tubulin subunit beta	0.0612	1	1
Echinococcus multilocularis	beta tubulin	0.0612	1	1
Echinococcus granulosus	tubulin alpha chain	0.0461	0.7353	0.7353
Echinococcus granulosus	tubulin gamma 1 chain	0.0376	0.586	0.586
Trypanosoma cruzi	epsilon tubulin, putative	0.0376	0.5852	0.0798
Loa Loa (eye worm)	tubulin beta-4 chain	0.0612	1	1
Leishmania major	beta tubulin	0.0612	1	1
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Giardia lamblia	Alpha-tubulin	0.0461	0.7353	0.6681
Echinococcus granulosus	tubulin subunit beta	0.0612	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0461	0.7353	0.7064
Echinococcus multilocularis	tubulin subunit TubB	0.0461	0.7353	0.7353
Giardia lamblia	Alpha-tubulin	0.0461	0.7353	0.6681
Echinococcus multilocularis	Tubulin beta 2C chain	0.0612	1	1
Toxoplasma gondii	beta tubulin	0.0612	1	1
Schistosoma mansoni	tubulin subunit delta	0.0158	0.2025	0.2025
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Onchocerca volvulus		0.0186	0.2527	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0461	0.7353	0.7353
Echinococcus multilocularis	tubulin alpha chain	0.0461	0.7353	0.7353
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Plasmodium vivax	tubulin alpha chain, putative	0.0461	0.7353	0.6681
Schistosoma mansoni	tubulin subunit beta	0.0612	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0461	0.7353	0.7353
Echinococcus granulosus	tubulin alpha	0.0344	0.5299	0.5299
Schistosoma mansoni	tubulin subunit beta	0.0612	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0612	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0461	0.7353	0.6434
Echinococcus multilocularis	tubulin alpha 1C chain	0.0461	0.7353	0.7353
Trypanosoma brucei	alpha tubulin	0.0461	0.7353	0.6459
Leishmania major	beta tubulin	0.0612	1	1
Leishmania major	beta tubulin	0.0612	1	1
Echinococcus multilocularis	jun protein	0.0101	0.1033	0.1033
Trypanosoma cruzi	zeta tubulin, putative	0.0488	0.7821	0.5167
Leishmania major	zeta tubulin, putative	0.0488	0.7821	0.5167
Loa Loa (eye worm)	alpha-tubulin	0.0461	0.7353	0.7064
Plasmodium vivax	tubulin beta chain, putative	0.0612	1	1
Echinococcus granulosus	beta tubulin	0.0612	1	1
Echinococcus granulosus	tubulin alpha chain	0.0461	0.7353	0.7353
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0355	0.5492	0.3926
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0158	0.2025	0.5
Trypanosoma brucei	tubulin delta chain	0.0355	0.5492	0.3968
Brugia malayi	hypothetical protein	0.008	0.0651	0.0651
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Plasmodium vivax	tubulin epsilon chain, putative	0.0376	0.5852	0.4799
Echinococcus granulosus	tubulin subunit TubB	0.0461	0.7353	0.7353
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Trichomonas vaginalis	tubulin beta chain, putative	0.0461	0.7353	0.6681
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0101	0.1033	0.1033
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0275	0.4079	0.2576
Loa Loa (eye worm)	beta-tubulin	0.0612	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0303	0.4581	0.3989
Echinococcus multilocularis	peroxisome assembly protein 26	0.0461	0.7353	0.7353
Entamoeba histolytica	tubulin alpha chain, putative	0.0461	0.7353	0.7353
Echinococcus multilocularis	beta tubulin	0.0612	1	1
Giardia lamblia	Beta tubulin	0.0612	1	1
Brugia malayi	alpha-tubulin	0.0461	0.7353	0.7353
Loa Loa (eye worm)	tubulin alpha 2	0.0303	0.4581	0.3989
Leishmania major	beta tubulin	0.0612	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0461	0.7353	0.7353
Schistosoma mansoni	tubulin subunit gamma	0.0376	0.586	0.586
Plasmodium falciparum	tubulin gamma chain	0.0376	0.586	0.4809
Schistosoma mansoni	tubulin subunit beta	0.0612	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0461	0.7353	0.7353
Echinococcus granulosus	Tubulin alpha 1 chain	0.0461	0.7353	0.7353
Trypanosoma brucei	beta tubulin	0.0344	0.5299	0.371
Loa Loa (eye worm)	tubulin beta chain	0.0612	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0461	0.7353	0.6681
Trichomonas vaginalis	tubulin alpha chain, putative	0.0186	0.2527	0.0629
Leishmania major	beta tubulin	0.0612	1	1
Brugia malayi	Tubulin gamma chain	0.0376	0.586	0.586
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0461	0.7353	0.6681
Echinococcus granulosus	c-Jun N-terminal kinases	0.0278	0.4141	0.4141
Leishmania major	beta tubulin	0.0612	1	1
Echinococcus granulosus	tubulin alpha chain	0.0461	0.7353	0.7353
Trichomonas vaginalis	tubulin, putative	0.0186	0.2527	0.0629
Echinococcus granulosus	Tubulin alpha 1 chain	0.0461	0.7353	0.7353
Echinococcus multilocularis	Tubulin beta 2C chain	0.0612	1	1
Trypanosoma brucei	epsilon tubulin	0.0344	0.5299	0.371
Echinococcus granulosus	tubulin alpha 3 chain	0.0461	0.7353	0.7353
Trypanosoma brucei	tubulin gamma chain	0.0376	0.586	0.4461
Toxoplasma gondii	beta-tubulin, putative	0.0612	1	1
Echinococcus granulosus	tubulin alpha chain	0.0461	0.7353	0.7353
Echinococcus multilocularis	tubulin gamma 1 chain	0.0376	0.586	0.586
Echinococcus granulosus	tubulin beta 4A class IVa	0.0612	1	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0376	0.5852	0.4799
Schistosoma mansoni	alpha tubulin	0.0461	0.7353	0.7353
Echinococcus multilocularis	tubulin alpha 1C chain	0.0461	0.7353	0.7353
Giardia lamblia	Epsilon tubulin	0.0189	0.2578	0.0694
Brugia malayi	Tubulin beta chain	0.0158	0.2025	0.2025
Plasmodium falciparum	tubulin beta chain	0.0612	1	1
Plasmodium falciparum	alpha tubulin 2	0.0461	0.7353	0.6681
Schistosoma mansoni	tubulin subunit alpha	0.0461	0.7353	0.7353
Echinococcus granulosus	tubulin delta chain	0.0158	0.2025	0.2025
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Trypanosoma brucei	zeta tubulin	0.0488	0.7821	0.7085
Schistosoma mansoni	tubulin subunit alpha	0.0461	0.7353	0.7353
Leishmania major	epsilon tubulin, putative	0.0376	0.5852	0.0798
Giardia lamblia	Beta tubulin	0.0612	1	1
Loa Loa (eye worm)	hypothetical protein	0.0275	0.4079	0.3433
Brugia malayi	Cell division protein ftsZ	0.0158	0.2025	0.2025
Trichomonas vaginalis	tubulin beta chain, putative	0.0461	0.7353	0.6681
Loa Loa (eye worm)	tubulin alpha chain	0.0461	0.7353	0.7064
Treponema pallidum	cell division protein FtsZ	0.0158	0.2025	0.5
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0158	0.2025	0.5
Trypanosoma cruzi	beta tubulin, putative	0.0612	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0612	1	1
Echinococcus granulosus	tubulin beta 1 chain	0.0612	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0612	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0376	0.586	0.4809
Echinococcus multilocularis	tubulin beta 1 chain	0.0612	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0461	0.7353	0.7353
Plasmodium vivax	tubulin gamma chain, putative	0.0376	0.586	0.4809
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0461	0.7353	0.6681
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0278	0.4141	0.4141
Loa Loa (eye worm)	tubulin alpha 2	0.0303	0.4581	0.3989
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Toxoplasma gondii	beta-1 tubulin, putative	0.0612	1	1
Schistosoma mansoni	tubulin subunit beta	0.0612	1	1
Brugia malayi	Tubulin beta chain	0.0186	0.2527	0.2527
Trichomonas vaginalis	tubulin, putative	0.0612	1	1
Echinococcus granulosus	tubulin epsilon chain	0.0376	0.5852	0.5852
Loa Loa (eye worm)	hypothetical protein	0.0461	0.7353	0.7064
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0344	0.5299	0.3666
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0278	0.4141	0.3501
Trypanosoma cruzi	zeta tubulin, putative	0.0488	0.7821	0.5167
Mycobacterium ulcerans	cell division protein FtsZ	0.0158	0.2025	0.5
Trichomonas vaginalis	tubulin alpha chain, putative	0.0344	0.5299	0.4105
Echinococcus granulosus	tubulin alpha 1C chain	0.0461	0.7353	0.7353
Schistosoma mansoni	tubulin subunit alpha	0.0461	0.7353	0.7353
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Trichomonas vaginalis	tubulin gamma chain, putative	0.0612	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0461	0.7353	0.7353
Loa Loa (eye worm)	tubulin alpha 2	0.0117	0.1307	0.0358
Brugia malayi	Tubulin alpha-2 chain	0.0461	0.7353	0.7353
Loa Loa (eye worm)	tubulin alpha chain	0.0461	0.7353	0.7064
Schistosoma mansoni	alpha tubulin	0.0461	0.7353	0.7353
Trichomonas vaginalis	tubulin beta chain, putative	0.0461	0.7353	0.6681
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0461	0.7353	0.7353
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0461	0.7353	0.6681
Trypanosoma brucei	alpha tubulin	0.0461	0.7353	0.6459
Schistosoma mansoni	serine/threonine protein kinase	0.0278	0.4141	0.4141
Echinococcus granulosus	tubulin alpha chain	0.0461	0.7353	0.7353
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Leishmania major	beta tubulin	0.0612	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0612	1	1
Echinococcus granulosus	alpha tubulin	0.0461	0.7353	0.7353
Trypanosoma brucei	epsilon tubulin	0.0376	0.5852	0.445
Brugia malayi	Tubulin alpha chain	0.0461	0.7353	0.7353
Entamoeba histolytica	tubulin family protein	0.0612	1	1
Echinococcus multilocularis	hypothetical protein	0.0461	0.7353	0.7353
Leishmania major	beta tubulin	0.0612	1	1
Trypanosoma brucei	alpha tubulin	0.0461	0.7353	0.6459
Trichomonas vaginalis	tubulin alpha chain, putative	0.0186	0.2527	0.0629
Giardia lamblia	Beta tubulin	0.0612	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0303	0.4581	0.3205
Leishmania major	beta tubulin	0.0612	1	1
Mycobacterium leprae	cell division protein FtsZ	0.0158	0.2025	0.5
Echinococcus granulosus	jun protein	0.0101	0.1033	0.1033
Leishmania major	beta tubulin	0.0612	1	1
Leishmania major	beta tubulin	0.0612	1	1
Trypanosoma brucei	zeta tubulin, putative	0.0488	0.7821	0.7085
Trypanosoma brucei	beta tubulin	0.0612	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0612	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0612	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0612	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0461	0.7353	0.6681
Brugia malayi	bZIP transcription factor family protein	0.0101	0.1033	0.1033
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0461	0.7353	0.7353
Schistosoma mansoni	jun-related protein	0.0082	0.07	0.07
Leishmania major	alpha tubulin	0.0461	0.7353	0.4129
Trichomonas vaginalis	tubulin, putative	0.0186	0.2527	0.0629
Loa Loa (eye worm)	tubulin beta chain	0.0158	0.2025	0.1154
Giardia lamblia	Gamma tubulin	0.0376	0.586	0.4809
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0275	0.4079	0.3433
Trypanosoma brucei	beta tubulin	0.0612	1	1
Leishmania major	beta tubulin	0.0612	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0461	0.7353	0.6681
Loa Loa (eye worm)	tubulin gamma chain	0.0376	0.586	0.5408
Echinococcus granulosus	Tubulin beta 2C chain	0.0612	1	1
Trypanosoma brucei	epsilon tubulin	0.0376	0.5852	0.445
Schistosoma mansoni	tubulin subunit epsilon	0.0376	0.5852	0.5852
Entamoeba histolytica	tubulin family protein	0.0612	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0461	0.7353	0.7353
Loa Loa (eye worm)	tubulin beta-2A chain	0.0612	1	1
Schistosoma mansoni	tubulin subunit beta	0.0158	0.2025	0.2025
Echinococcus multilocularis	Tubulin beta 2C chain	0.0612	1	1
Brugia malayi	Tubulin alpha chain	0.0158	0.2025	0.2025
Entamoeba histolytica	tubulin gamma chain	0.0376	0.586	0.586
Echinococcus granulosus	Tubulin beta 2C chain	0.0612	1	1
Echinococcus multilocularis	tubulin delta chain	0.0158	0.2025	0.2025
Leishmania major	beta tubulin	0.0612	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0158	0.2025	0.2025
Brugia malayi	Tubulin alpha-2 chain	0.0461	0.7353	0.7353
Echinococcus multilocularis	tubulin alpha chain	0.0461	0.7353	0.7353
Leishmania major	beta tubulin	0.0612	1	1
Brugia malayi	Stress-activated protein kinase jnk-1	0.0278	0.4141	0.4141
Echinococcus multilocularis	tubulin subunit beta	0.0612	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.0612	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0101	0.1033	0.1033
Brugia malayi	beta-tubulin, identical	0.0612	1	1
Schistosoma mansoni	tubulin subunit beta	0.0612	1	1
Leishmania major	beta tubulin	0.0612	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Drug uptake (ADMET)	= 7.4 uM	Drug level in mouse plasma at 10 mg/kg, ip after 2 hrs	ChEMBL.	21316221
Drug uptake (ADMET)	= 7.6 uM	Drug level in mouse brain at 10 mg/kg, ip after 2 hrs	ChEMBL.	21316221
IC50 (binding)	= 0.01 uM	Inhibition of JNK3 by HRTF	ChEMBL.	21316221
IC50 (binding)	= 0.16 uM	Inhibition of c-Jun	ChEMBL.	21316221

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: CHEMBL1761579

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 1522715