TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 392.474 | Formula: C21H20N4O2S
H donors: 1 H acceptors: 4 LogP: 3.55 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c(SCC(=O)N(c2ccccc2)C)nc2c(c1O)nc1c2cccc1
InChi: 1S/C21H20N4O2S/c1-3-25-20(27)19-18(15-11-7-8-12-16(15)22-19)23-21(25)28-13-17(26)24(2)14-9-5-4-6-10-14/h4-12,27H,3,13H2,1-2H3
InChiKey: JLNZMQDACINAKL-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	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768

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
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Brugia malayi	Cell division protein kinase 2	0.0037	0.0559	0.0644
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0162	0.5303	1
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.0559	0.0559
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0506	0.0718
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0162	0.5303	1
Giardia lamblia	Kinase, CMGC DYRK	0.0162	0.5303	1
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0037	0.0559	0.0793
Brugia malayi	hypothetical protein	0.0043	0.0787	0.0907
Schistosoma mansoni	hypothetical protein	0.0209	0.7055	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0787	0.1116
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0037	0.0559	0.1055
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.8681	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.8681	1
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Brugia malayi	hypothetical protein	0.0209	0.7055	0.8127
Brugia malayi	Pre-SET motif family protein	0.0036	0.0506	0.0583
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0209	0.7055	1
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trypanosoma brucei	protein kinase, putative	0.0037	0.0559	0.1055
Loa Loa (eye worm)	haspin protein kinase	0.021	0.7109	0.8188
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0506	0.0954
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Entamoeba histolytica	protein kinase domain containing protein	0.0037	0.0559	0.1055
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5303	0.5303
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0	0.5
Plasmodium vivax	SET domain protein, putative	0.0036	0.0506	0.9056
Trichomonas vaginalis	CMGC family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0037	0.0559	0.1055
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0162	0.5303	0.6108
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0037	0.0559	0.1055
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Brugia malayi	Protein kinase domain containing protein	0.0037	0.0559	0.0644
Trichomonas vaginalis	CMGC family protein kinase	0.0037	0.0559	0.0559
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0037	0.0559	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0787	0.1116
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0506	0.0955
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Leishmania major	serine/threonine kinase-like protein, putative	0.0037	0.0559	0.1055
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0037	0.0559	0.0644
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0456	0.0646
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0162	0.5303	0.6108
Echinococcus granulosus	mitogen activated protein kinase 15	0.0037	0.0559	0.0793
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0037	0.0559	0.0793
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0037	0.0559	0.0793
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0162	0.5303	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0	0.5
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0209	0.7055	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5303	0.5303
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0037	0.0559	0.0644
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0037	0.0559	0.0793
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0037	0.0559	0.0559
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0037	0.0559	0.0559
Entamoeba histolytica	cell division protein kinase 2, putative	0.0037	0.0559	0.1055
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0037	0.0559	0.1055
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0506	0.0718
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Schistosoma mansoni	serine/threonine protein kinase	0.0162	0.5303	0.7516
Giardia lamblia	Kinase, CAMK CAMKL	0.0037	0.0559	0.1055
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Schistosoma mansoni	serine/threonine kinase	0.0037	0.0559	0.0793
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0506	0.0718
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CMGC family protein kinase	0.0037	0.0559	0.0559
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0506	0.0718
Trichomonas vaginalis	serine/threonine kinase, putative	0.0037	0.0559	0.0559
Plasmodium falciparum	MO15-related protein kinase	0.0037	0.0559	1
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Entamoeba histolytica	hypothetical protein	0.0043	0.0787	0.1485
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0037	0.0559	1
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0209	0.7055	1
Entamoeba histolytica	protein kinase, putative	0.0162	0.5303	1
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5303	0.5303
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0506	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0506	0.0583
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Entamoeba histolytica	protein kinase domain containing protein	0.0162	0.5303	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0506	0.0717
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5303	0.5303
Trichomonas vaginalis	CMGC family protein kinase	0.0037	0.0559	0.0559
Echinococcus multilocularis	dual specificity	0.0162	0.5303	0.7516
Giardia lamblia	Kinase, CAMK CAMKL	0.0037	0.0559	0.1055
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.0559	0.0559
Entamoeba histolytica	hypothetical protein	0.0043	0.0787	0.1485
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0037	0.0559	0.0644
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	1
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0162	0.5303	1
Loa Loa (eye worm)	haspin protein kinase	0.0209	0.7055	0.8127
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0209	0.7055	1
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Giardia lamblia	Kinase, CAMK CAMKL	0.0037	0.0559	0.1055
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5303	0.5303
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.0559	0.0559
Echinococcus multilocularis	cyclin dependent kinase 9	0.0037	0.0559	0.0793
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.0559	0.0559
Loa Loa (eye worm)	haspin protein kinase	0.0209	0.7055	0.8127
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Echinococcus multilocularis	dual specificity	0.0162	0.5303	0.7516
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Trichomonas vaginalis	AGC family protein kinase	0.0037	0.0559	0.0559
Brugia malayi	GSG2	0.0209	0.7055	0.8127
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0506	0.0718
Schistosoma mansoni	protein kinase	0.0037	0.0559	0.0793
Echinococcus multilocularis	dual specificity	0.0162	0.5303	0.7516
Echinococcus multilocularis	hypothetical protein	0.0036	0.0506	0.0717
Echinococcus granulosus	dual specificity	0.0162	0.5303	0.7516
Trichomonas vaginalis	CMGC family protein kinase	0.0162	0.5303	0.5303
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Echinococcus granulosus	dual specificity	0.0162	0.5303	0.7516
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0787	0.1116
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0506	0.0718
Trichomonas vaginalis	CAMK family protein kinase	0.0037	0.0559	0.0559
Entamoeba histolytica	hypothetical protein	0.0043	0.0787	0.1485
Echinococcus granulosus	cyclin dependent kinase 9	0.0037	0.0559	0.0793
Echinococcus granulosus	dual specificity	0.0162	0.5303	0.7516
Schistosoma mansoni	serine/threonine protein kinase	0.0037	0.0559	0.0793
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0209	0.7055	1
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0037	0.0559	0.1055
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0036	0.0506	0.0717
Entamoeba histolytica	hypothetical protein	0.0043	0.0787	0.1485
Schistosoma mansoni	hypothetical protein	0.0043	0.0787	0.1116

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	2.0787 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	2.1192 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.5929 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)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	446.6836 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1599183

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1446272