TDR Targets

Basic information

Technical information

TDR Targets ID: 1444628
Name: 2-[(4-chlorophenyl)methyl]-6-[(2-methylphenyl )methyl]-1,2,6-thiadiazinane 1,1-dioxide
MW: 364.89 | Formula: C18H21ClN2O2S
H donors: 0 H acceptors: 2 LogP: 3.53 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)CN1CCCN(S1(=O)=O)Cc1ccccc1C
InChi: 1S/C18H21ClN2O2S/c1-15-5-2-3-6-17(15)14-21-12-4-11-20(24(21,22)23)13-16-7-9-18(19)10-8-16/h2-3,5-10H,4,11-14H2,1H3
InChiKey: NJWDIOUNLPNVGR-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

2-(4-chlorobenzyl)-6-(2-methylbenzyl)-1,2,6-thiadiazinane 1,1-dioxide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Streptococcus pyogenes serotype M1	Streptokinase A	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium vivax	basic transcription factor 3b, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Brugia malayi	beta-NAC-like protein	Get druggable targets OG5_127333	All targets in OG5_127333
Leishmania major	basic transcription factor 3a, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Babesia bovis	NAC domain containing protein	Get druggable targets OG5_127333	All targets in OG5_127333
Entamoeba histolytica	transcription factor BTF3, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania braziliensis	basic transcription factor 3a, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127333	All targets in OG5_127333
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Cryptosporidium hominis	NAC domain protein	Get druggable targets OG5_127333	All targets in OG5_127333
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Trypanosoma cruzi	transcription factor btf3, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127333	All targets in OG5_127333
Trypanosoma brucei	transcription factor BTF3, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium yoelii	basic transcription factor 3, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	ko:K01527 nascent polypeptide-associated complex subunit beta, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Cryptosporidium parvum	BTF domain, basal transcription factor	Get druggable targets OG5_127333	All targets in OG5_127333
Toxoplasma gondii	NAC domain-containing protein	Get druggable targets OG5_127333	All targets in OG5_127333
Echinococcus multilocularis	transcription factor btf3	Get druggable targets OG5_127333	All targets in OG5_127333
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_127333	All targets in OG5_127333
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium berghei	transcription factor 3b, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Theileria parva	transcription factor BTF3, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Echinococcus granulosus	transcription factor btf3	Get druggable targets OG5_127333	All targets in OG5_127333
Leishmania mexicana	basic transcription factor 3a, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Neospora caninum	hypothetical protein	Get druggable targets OG5_127333	All targets in OG5_127333
Schistosoma mansoni	transcription factor btf3	Get druggable targets OG5_127333	All targets in OG5_127333
Trypanosoma brucei gambiense	nascent polypeptide associated complex alpha subunit, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127333	All targets in OG5_127333
Candida albicans	similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp	Get druggable targets OG5_127333	All targets in OG5_127333
Plasmodium knowlesi	basic transcription factor 3b, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania donovani	transcription factor btf3, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Leishmania infantum	basic transcription factor 3a, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	similar to S. cerevisiae GAL4 enhancer protein EGD1 (YPL037C) subunit alpha of the nascent polypeptide-associated chaperone comp	Get druggable targets OG5_127333	All targets in OG5_127333
Plasmodium falciparum	basic transcription factor 3b, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Trypanosoma cruzi	transcription factor btf3, putative	Get druggable targets OG5_127333	All targets in OG5_127333
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Loa Loa (eye worm)	ICD-1 protein	Get druggable targets OG5_127333	All targets in OG5_127333

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Mycobacterium tuberculosis	Hypothetical oxidoreductase	0.0098	0.076	0.5
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0863	1	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0089	0.0089
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.0681	0.0681
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.033	0.3563	0.3507
Trypanosoma cruzi	p450 reductase, putative	0.0863	1	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0863	1	1
Trichomonas vaginalis	sulfite reductase, putative	0.0863	1	1
Leishmania major	cytochrome-b5 reductase, putative	0.0098	0.076	0.0681
Entamoeba histolytica	type A flavoprotein, putative	0.033	0.3563	1
Leishmania major	reductase, putative	0.0098	0.076	0.0681
Mycobacterium tuberculosis	Probable oxidoreductase	0.0098	0.076	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0302	0.0302
Plasmodium falciparum	basic transcription factor 3b, putative	0.0042	0.0085	0.0085
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.0968	0.0968
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0453	0.0453
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0863	1	1
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.033	0.3563	0.3507
Loa Loa (eye worm)	ICD-1 protein	0.0042	0.0085	0.0085
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0863	1	1
Trypanosoma brucei	oxidoreductase-protein, putative	0.0098	0.076	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0072	0.0072
Brugia malayi	flavodoxin family protein	0.033	0.3563	0.3563
Giardia lamblia	Nitric oxide synthase, inducible	0.0765	0.8815	1
Brugia malayi	FAD binding domain containing protein	0.0533	0.6012	0.6012
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0863	1	1
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0098	0.076	0.5
Brugia malayi	FAD binding domain containing protein	0.0863	1	1
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Schistosoma mansoni	transcription factor btf3	0.0042	0.0085	0.0085
Echinococcus multilocularis	transcription factor btf3	0.0042	0.0085	0.0085
Trypanosoma brucei	nitrate reductase, putative	0.0098	0.076	0.0681
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0863	1	1
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0167	0.0167
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0098	0.076	0.0681
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0863	1	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.0968	0.0968
Onchocerca volvulus		0.0098	0.076	1
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0167	0.0167
Schistosoma mansoni	hypothetical protein	0.0041	0.0072	0.0072
Schistosoma mansoni	cytochrome B5	0.0098	0.076	0.076
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0098	0.076	0.076
Leishmania major	cytochrome-b5 reductase, putative	0.0098	0.076	0.0681
Echinococcus multilocularis	methionine synthase reductase	0.0533	0.6012	0.6012
Giardia lamblia	Flavohemoprotein lateral transfer candidate	0.0098	0.076	0.0862
Trypanosoma cruzi	p450 reductase, putative	0.0098	0.076	0.0681
Trypanosoma brucei	NADH-cytochrome b5 reductase-like protein	0.0098	0.076	0.0681
Loa Loa (eye worm)	flavodoxin family protein	0.033	0.3563	0.3563
Echinococcus multilocularis	cytochrome b5 reductase 4	0.0098	0.076	0.076
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0863	1	1
Echinococcus granulosus	NADH cytochrome b5 reductase 3	0.0098	0.076	0.076
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0863	1	1
Loa Loa (eye worm)	hypothetical protein	0.0863	1	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.033	0.3563	0.3563
Leishmania major	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0863	1	1
Brugia malayi	diaphorase	0.0098	0.076	0.076
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.033	0.3563	0.3507
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0098	0.076	0.0681
Brugia malayi	jmjC domain containing protein	0.0115	0.0968	0.0968
Toxoplasma gondii	flavodoxin domain-containing protein	0.0428	0.4748	1
Toxoplasma gondii	ferredoxin NADP+ oxidoreductase FNR	0.0098	0.076	0.16
Brugia malayi	jmjC domain containing protein	0.0043	0.0089	0.0089
Mycobacterium tuberculosis	Possible oxygenase	0.0098	0.076	0.5
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0533	0.6012	0.6012
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0863	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0089	0.0089
Leishmania major	NADH-dependent fumarate reductase-like protein	0.0098	0.076	0.0681
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0089	0.0089
Plasmodium vivax	hypothetical protein, conserved	0.033	0.3563	0.3563
Trypanosoma cruzi	oxidoreductase-protein, putative	0.0098	0.076	0.0681
Loa Loa (eye worm)	hypothetical protein	0.006	0.0302	0.0302
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0098	0.076	0.0681
Entamoeba histolytica	type A flavoprotein, putative	0.033	0.3563	1
Entamoeba histolytica	type A flavoprotein, putative	0.033	0.3563	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0098	0.076	0.0681
Plasmodium falciparum	nitric oxide synthase, putative	0.0863	1	1
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0089	0.0089
Plasmodium falciparum	ferredoxin--NADP reductase	0.0098	0.076	0.076
Entamoeba histolytica	type A flavoprotein, putative	0.033	0.3563	1
Toxoplasma gondii	NADH-cytochrome b5 reductase 1, putative	0.0098	0.076	0.16
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0863	1	1
Plasmodium vivax	basic transcription factor 3b, putative	0.0042	0.0085	0.0085
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0435	0.4827	0.4827
Echinococcus granulosus	methionine synthase reductase	0.0533	0.6012	0.6012
Plasmodium vivax	flavodoxin domain containing protein	0.0765	0.8815	0.8815
Trypanosoma cruzi	nitrate reductase, putative	0.0098	0.076	0.0681
Echinococcus granulosus	cytochrome b5 reductase 4	0.0098	0.076	0.076
Schistosoma mansoni	cytochrome P450 reductase	0.0863	1	1
Treponema pallidum	flavodoxin	0.033	0.3563	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0304	0.0304
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.033	0.3563	0.3563
Giardia lamblia	Hypothetical protein	0.0765	0.8815	1
Plasmodium falciparum	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.076
Mycobacterium tuberculosis	Probable monooxygenase	0.0098	0.076	0.5
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0863	1	1
Loa Loa (eye worm)	diaphorase	0.0098	0.076	0.076
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0098	0.076	0.076
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0863	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0072	0.0072
Schistosoma mansoni	diflavin oxidoreductase	0.0428	0.4748	0.4748
Echinococcus granulosus	cytochrome b5 reductase 4	0.0098	0.076	0.076
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0533	0.6012	0.6012
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0765	0.8815	0.8805
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0302	0.0302
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0863	1	1
Echinococcus granulosus	transcription factor btf3	0.0042	0.0085	0.0085
Toxoplasma gondii	flavodoxin domain-containing protein	0.0428	0.4748	1
Brugia malayi	beta-NAC-like protein	0.0042	0.0085	0.0085
Plasmodium vivax	oxidoreductase NAD-binding domain containing protein	0.0098	0.076	0.076
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.033	0.3563	0.3507
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.033	0.3563	0.3507
Schistosoma mansoni	NADH-cytochrome B5 reductase	0.0098	0.076	0.076
Entamoeba histolytica	type A flavoprotein, putative	0.033	0.3563	1
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.033	0.3563	0.3507
Leishmania major	oxidoreductase-like protein	0.0098	0.076	0.0681
Trypanosoma cruzi	reductase, putative	0.0098	0.076	0.0681
Leishmania major	hypothetical protein, conserved	0.033	0.3563	0.3507
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0302	0.0302
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Echinococcus multilocularis	NADH cytochrome b5 reductase 3	0.0098	0.076	0.076
Leishmania major	nitrate reductase, putative	0.0098	0.076	0.0681
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0098	0.076	0.0681
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Chlamydia trachomatis	sulfite reductase	0.0533	0.6012	1
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Leishmania major	cytochrome P450 reductase, putative	0.0765	0.8815	0.8805
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0098	0.076	0.0681
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.033	0.3563	0.3507
Plasmodium vivax	ferredoxin--NADP reductase, putative	0.0098	0.076	0.076
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.033	0.3563	0.3507
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0098	0.076	0.0681
Toxoplasma gondii	NAC domain-containing protein	0.0042	0.0085	0.0179
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0089	0.0089
Leishmania major	p450 reductase, putative	0.0863	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 4.049 um	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)]	ChEMBL.	No reference
EC50 (functional)	= 23.292 um	PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)]	ChEMBL.	No reference
Potency (functional)	0.5623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	1.9953 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	44.6684 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 (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1594106

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1444628