TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 378.424 | Formula: C21H22N4O3
H donors: 1 H acceptors: 2 LogP: 2.78 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NCC(c1ccccc1)C)CCCn1ncn2c(c1=O)cc1c2cco1
InChi: 1S/C21H22N4O3/c1-15(16-6-3-2-4-7-16)13-22-20(26)8-5-10-25-21(27)18-12-19-17(9-11-28-19)24(18)14-23-25/h2-4,6-7,9,11-12,14-15H,5,8,10,13H2,1H3,(H,22,26)
InChiKey: DTSLJBCQSXZFLI-UHFFFAOYSA-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	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	Starlite/ChEMBL	No references
Homo sapiens	RAN, member RAS oncogene family		No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references
Homo sapiens	karyopherin (importin) beta 1		No references
Homo sapiens	snurportin 1		No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania mexicana	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania braziliensis	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania donovani	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Leishmania infantum	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma mansoni	importin beta-1	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium yoelii	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania infantum	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trichomonas vaginalis	Importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Neospora caninum	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria	Get druggable targets OG5_128068	All targets in OG5_128068
Schistosoma mansoni	ran	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	RNA, U transporter 1	Get druggable targets OG5_131808	All targets in OG5_131808
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	second version of adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_128068	All targets in OG5_128068
Plasmodium berghei	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus multilocularis	snurportin 1	Get druggable targets OG5_131808	All targets in OG5_131808
Plasmodium vivax	importin-beta 2, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Cryptosporidium parvum	importin/karyopherin	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania braziliensis	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trichomonas vaginalis	importin beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Neospora caninum	GTP-binding nuclear protein Ran, related	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium yoelii	importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Babesia bovis	GTP-binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_131808	All targets in OG5_131808
Plasmodium falciparum	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania major	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Leishmania donovani	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Schistosoma japonicum	Importin subunit beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Brugia malayi	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	Ran, Ras family GTP-binding protein	Get druggable targets OG5_127514	All targets in OG5_127514
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	Get druggable targets OG5_128068	All targets in OG5_128068
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Importin beta-1 subunit	Get druggable targets OG5_127843	All targets in OG5_127843
Toxoplasma gondii	HEAT repeat-containing protein	Get druggable targets OG5_127843	All targets in OG5_127843
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	ko:K07936 GTP-binding nuclear protein Ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania mexicana	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	Get druggable targets OG5_131808	All targets in OG5_131808
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	ran	Get druggable targets OG5_127514	All targets in OG5_127514
Leishmania major	GTP-binding protein, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium knowlesi	GTP-binding nuclear protein RAN/TC4, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Cryptosporidium hominis	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Entamoeba histolytica	Ran family GTPase	Get druggable targets OG5_127514	All targets in OG5_127514
Babesia bovis	importin beta subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Snurportin-1, putative	Get druggable targets OG5_131808	All targets in OG5_131808
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	Get druggable targets OG5_128068	All targets in OG5_128068
Theileria parva	GTP-binding nuclear protein ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Plasmodium knowlesi	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Cryptosporidium parvum	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma congolense	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma brucei gambiense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma japonicum	Importin subunit beta-1, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus granulosus	importin subunit beta 1	Get druggable targets OG5_127843	All targets in OG5_127843
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	Get druggable targets OG5_127514	All targets in OG5_127514
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus multilocularis	GTP binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Cryptosporidium hominis	importin-beta2	Get druggable targets OG5_127843	All targets in OG5_127843
Trichomonas vaginalis	acetylornithine aminotransferase, putative	Get druggable targets OG5_128068	All targets in OG5_128068
Theileria parva	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma brucei gambiense	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus granulosus	GTP binding nuclear protein Ran	Get druggable targets OG5_127514	All targets in OG5_127514
Trypanosoma cruzi	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Mycobacterium tuberculosis	Probable aminotransferase	Get druggable targets OG5_128068	All targets in OG5_128068
Candida albicans	Ran, Ras family GTP-binding protein	Get druggable targets OG5_127514	All targets in OG5_127514
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	Get druggable targets OG5_127514	All targets in OG5_127514
Candida albicans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase similar to that found in bacteria	Get druggable targets OG5_128068	All targets in OG5_128068
Trichomonas vaginalis	ran, putative	Get druggable targets OG5_127514	All targets in OG5_127514
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127843	All targets in OG5_127843
Trypanosoma congolense	importin beta-1 subunit, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Plasmodium berghei	importin beta, putative	Get druggable targets OG5_127843	All targets in OG5_127843
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	karyopherin-beta	Get druggable targets OG5_127843	All targets in OG5_127843
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	437 aa	397 aa	28.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0372	1	1
Echinococcus granulosus	importin subunit beta 1	0.0035	0.0491	0.0491
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0491	1
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0734	0.0734
Echinococcus multilocularis	ornithine aminotransferase	0.0026	0.0245	0.0245
Entamoeba histolytica	hypothetical protein	0.0043	0.0734	0.1911
Schistosoma mansoni	hypothetical protein	0.0038	0.0571	0.0571
Schistosoma mansoni	hypothetical protein	0.0049	0.0896	0.0896
Schistosoma mansoni	hypothetical protein	0.0049	0.0896	0.0896
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.2916	0.2916
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.1063	0.2068
Schistosoma mansoni	hypothetical protein	0.0049	0.0896	0.0896
Schistosoma mansoni	hypothetical protein	0.0187	0.4794	0.4794
Trichomonas vaginalis	importin beta-1, putative	0.0028	0.0305	0.0165
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0948	0.0948
Toxoplasma gondii	HEAT repeat-containing protein	0.0035	0.0491	1
Mycobacterium tuberculosis	Probable aminotransferase	0.0184	0.4689	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1063	0.1063
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0026	0.0245	0.5
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0026	0.0231	0.0231
Schistosoma mansoni	eyes absent homolog	0.0097	0.2257	0.2257
Schistosoma mansoni	patched 1	0.0051	0.0948	0.0948
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.4304	0.4304
Schistosoma mansoni	ran	0.0026	0.0231	0.0231
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0026	0.0245	0.0476
Brugia malayi	RNA, U transporter 1	0.0099	0.2303	0.448
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2257	0.2257
Echinococcus multilocularis	Aminotransferase class III	0.0026	0.0245	0.0245
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0026	0.0245	0.0512
Plasmodium vivax	importin-beta 2, putative	0.0035	0.0491	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.2864	0.2864
Echinococcus granulosus	ornithine aminotransferase	0.0026	0.0245	0.0245
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0184	0.4689	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0734	0.1911
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0571	0.1111
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0184	0.4689	1
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0026	0.0231	0.0231
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0026	0.0231	0.0231
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0026	0.0231	0.5
Echinococcus granulosus	expressed conserved protein	0.0112	0.266	0.266
Schistosoma mansoni	hypothetical protein	0.0187	0.4794	0.4794
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2257	0.2257
Schistosoma mansoni	hypothetical protein	0.0049	0.0896	0.0896
Plasmodium falciparum	ornithine aminotransferase	0.0026	0.0245	0.0512
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.2864	0.5572
Echinococcus multilocularis	protein dispatched 1	0.0058	0.1152	0.1152
Schistosoma mansoni	ran	0.0026	0.0231	0.0231
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0734	0.0734
Loa Loa (eye worm)	hypothetical protein	0.0119	0.2864	0.2864
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0948	0.0948
Entamoeba histolytica	hypothetical protein	0.0028	0.0305	0.028
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0948	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0491	0.0491
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0948	0.1608
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.1063	0.2068
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0948	0.0948
Brugia malayi	N-terminal motif family protein	0.02	0.514	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.1272	0.1272
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0184	0.4689	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.514	0.514
Entamoeba histolytica	hypothetical protein	0.0043	0.0734	0.1911
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0305	0.0165
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0026	0.0231	0.045
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0026	0.0245	0.5
Echinococcus granulosus	geminin	0.0187	0.4794	0.4794
Mycobacterium ulcerans	hypothetical protein	0.0184	0.4689	1
Brugia malayi	hypothetical protein	0.0097	0.2257	0.4391
Leishmania major	importin beta-1 subunit, putative	0.0028	0.0305	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0734	0.1911
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.2864	1
Echinococcus granulosus	Aminotransferase class III	0.0026	0.0245	0.0245
Plasmodium vivax	ornithine aminotransferase, putative	0.0026	0.0245	0.0512
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0734	0.0734
Brugia malayi	Importin beta-1 subunit	0.0035	0.0491	0.0955
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0372	1	1
Schistosoma mansoni	importin beta-1	0.0035	0.0491	0.0491
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0028	0.0305	0.0165
Brugia malayi	CHE-14 protein	0.0051	0.0948	0.1844
Echinococcus multilocularis	protein patched	0.0051	0.0948	0.0948
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0571	0.0571
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0028	0.0305	1
Schistosoma mansoni	hypothetical protein	0.0043	0.0734	0.0734
Echinococcus multilocularis	expressed conserved protein	0.0112	0.266	0.266
Plasmodium falciparum	importin beta, putative	0.0035	0.0491	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.4304	0.4304
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.1063	0.1063
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0184	0.4689	1
Echinococcus multilocularis	importin subunit beta 1	0.0035	0.0491	0.0491
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0948	0.0948
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0026	0.0245	0.0245
Trypanosoma brucei	importin beta-1 subunit, putative	0.0035	0.0491	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.02	0.514	0.5
Echinococcus multilocularis	geminin	0.0187	0.4794	0.4794
Brugia malayi	hypothetical protein	0.0043	0.0734	0.1429
Echinococcus multilocularis	snurportin 1	0.0372	1	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.2864	0.2864
Echinococcus multilocularis	ornithine aminotransferase	0.0026	0.0245	0.0245

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	0.785 uM	PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Inhibition (binding)	= 10 %	Inhibition of C-terminal FLAG-tagged human recombinant autotaxin using synthetic substrate FS-3 at 10 uM measured every 2 mins by FRET assay relative to control	ChEMBL.	23816044
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.2643 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	5.8048 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference

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: CHEMBL1362037

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 1260449