TDR Targets

Basic information

Technical information

TDR Targets ID: 1384869
Name: N-(2-ethylpiperidine-1-carbothioyl)-4-fluoro- 3-morpholin-4-ylsulfonylbenzamide
MW: 443.556 | Formula: C19H26FN3O4S2
H donors: 1 H acceptors: 3 LogP: 2.27 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCC1CCCCN1C(=S)NC(=O)c1ccc(c(c1)S(=O)(=O)N1CCOCC1)F
InChi: 1S/C19H26FN3O4S2/c1-2-15-5-3-4-8-23(15)19(28)21-18(24)14-6-7-16(20)17(13-14)29(25,26)22-9-11-27-12-10-22/h6-7,13,15H,2-5,8-12H2,1H3,(H,21,24,28)
InChiKey: BSKCUAAMJGNGAS-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

N-(2-ethylpiperidine-1-carbothioyl)-4-fluoro-3-morpholinosulfonyl-benzamide
N-[(2-ethyl-1-piperidinyl)-thioxomethyl]-4-fluoro-3-morpholinosulfonylbenzamide
N-(2-ethylpiperidin-1-yl)carbothioyl-4-fluoro-3-morpholin-4-ylsulfonyl-benzamide
T5226992
MLS000761487
SMR000371581

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Giardia lamblia	Hypothetical protein	0.0096	0.011	0.0286
Echinococcus granulosus	histone deacetylase 8	0.0704	0.1525	0.3949
Echinococcus multilocularis	u4:u6.u5 tri snrnp associated protein 2	0.0096	0.011	0.0286
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 5	0.0096	0.011	0.0286
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0296	0.0575	0.1489
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0296	0.0575	0.1489
Plasmodium falciparum	histone deacetylase 1	0.1709	0.3861	1
Echinococcus multilocularis	histone deacetylase 6	0.1507	0.3392	0.8784
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0296	0.0575	0.1489
Trichomonas vaginalis	brca1-associated protein, putative	0.0096	0.011	0.0286
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0026	0.0068
Echinococcus granulosus	UDP glucose 4 epimerase	0.0055	0.0014	0.0037
Toxoplasma gondii	UDP-glucose 4-epimerase	0.0055	0.0014	0.0037
Leishmania major	udp-glc 4-epimerase, putative	0.0053	0.001	0.0025
Echinococcus multilocularis	histone deacetylase 8	0.0704	0.1525	0.3949
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0096	0.011	0.0286
Trichomonas vaginalis	histone deacetylase, putative	0.1709	0.3861	1
Toxoplasma gondii	histone deacetylase HDAC2	0.1709	0.3861	1
Trypanosoma cruzi	histone deacetylase, putative	0.1411	0.3168	0.8204
Toxoplasma gondii	UBA/TS-N domain-containing protein	0.0096	0.011	0.0286
Schistosoma mansoni	brca1-associated protein (brap2)	0.0096	0.011	0.0286
Toxoplasma gondii	histone deacetylase HDAC4	0.0704	0.1525	0.3949
Plasmodium vivax	histone deacetylase 1, putative	0.1709	0.3861	1
Echinococcus multilocularis	carbonic anhydrase	0.0296	0.0575	0.1489
Trichomonas vaginalis	BRCA1-associated protein, putative	0.0096	0.011	0.0286
Trypanosoma brucei	Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0096	0.011	0.0286
Echinococcus multilocularis	histone deacetylase 1	0.1709	0.3861	1
Brugia malayi	UDP galactose 4'-epimerase	0.0055	0.0014	0.0037
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0026	0.0068
Echinococcus granulosus	carbonic anhydrase II	0.0497	0.1041	0.2697
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0497	0.1041	0.2697
Loa Loa (eye worm)	hypothetical protein	0.006	0.0026	0.0068
Schistosoma mansoni	ubiquitin-specific peptidase 5 (C19 family)	0.0096	0.011	0.0286
Plasmodium vivax	histone deacetylase, putative	0.1411	0.3168	0.8204
Schistosoma mansoni	carbonic anhydrase-related	0.0296	0.0575	0.1489
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0096	0.011	0.0286
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0704	0.1525	1
Leishmania major	hypothetical protein, conserved	0.0096	0.011	0.0286
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0096	0.011	0.0286
Trichomonas vaginalis	histone deacetylase, putative	0.1709	0.3861	1
Trypanosoma cruzi	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0096	0.011	0.0286
Mycobacterium tuberculosis	Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase)	0.4299	0.9886	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0096	0.011	0.0286
Brugia malayi	histone deacetylase 11	0.0704	0.1525	0.3949
Trypanosoma brucei	carbonic anhydrase-like protein	0.0497	0.1041	0.2697
Loa Loa (eye worm)	hypothetical protein	0.1709	0.3861	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.009	0.0096	0.0249
Trypanosoma cruzi	histone deacetylase 1, putative	0.1709	0.3861	1
Loa Loa (eye worm)	BRCA1-associated protein 2 containing protein	0.0096	0.011	0.0286
Entamoeba histolytica	UDP-glucose 4-epimerase, putative	0.0055	0.0014	0.0037
Schistosoma mansoni	hypothetical protein	0.0296	0.0575	0.1489
Echinococcus granulosus	histone deacetylase 6	0.1411	0.3168	0.8204
Plasmodium vivax	hypothetical protein, conserved	0.0096	0.011	0.0286
Trypanosoma cruzi	UDP-galactose 4-epimerase, putative	0.0055	0.0014	0.0037
Schistosoma mansoni	histone deacetylase 4 5	0.1411	0.3168	0.8204
Echinococcus granulosus	carbonic anhydrase	0.0296	0.0575	0.1489
Entamoeba histolytica	histone deacetylase, putative	0.1709	0.3861	1
Brugia malayi	histone deacetylase 1 (HD1)	0.1709	0.3861	1
Schistosoma mansoni	brca1-associated protein (brap2)	0.0096	0.011	0.0286
Brugia malayi	Histone deacetylase family protein	0.1411	0.3168	0.8204
Brugia malayi	histone deacetylase 3 (HD3)	0.1709	0.3861	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0096	0.011	0.0286
Trichomonas vaginalis	histone deacetylase, putative	0.1709	0.3861	1
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0055	0.0014	0.0037
Loa Loa (eye worm)	histone deacetylase 11	0.0704	0.1525	0.3949
Plasmodium vivax	histone deacetylase 2, putative	0.1411	0.3168	0.8204
Echinococcus multilocularis	histone deacetylase 3	0.1709	0.3861	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0026	0.0068
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase 5, putative	0.0096	0.011	0.0286
Trichomonas vaginalis	histone deacetylase, putative	0.1709	0.3861	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0096	0.011	0.0286
Echinococcus granulosus	BRCA1 associated protein	0.0096	0.011	0.0286
Trichomonas vaginalis	histone deacetylase, putative	0.1709	0.3861	1
Toxoplasma gondii	hypothetical protein	0.0296	0.0575	0.1489
Toxoplasma gondii	histone deacetylase HDAC3	0.1709	0.3861	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0096	0.011	0.0286
Trypanosoma brucei	UDP-galactose 4-epimerase	0.0053	0.001	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0704	0.1525	0.3949
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 22	0.0096	0.011	0.0286
Trypanosoma brucei	histone deacetylase 4	0.1411	0.3168	0.8204
Giardia lamblia	Histone deacetylase	0.1709	0.3861	1
Brugia malayi	BRCA1-associated protein 2 containing protein	0.0096	0.011	0.0286
Leishmania major	carbonic anhydrase-like protein	0.0497	0.1041	0.2697
Trypanosoma cruzi	histone deacetylase, putative	0.0704	0.1525	0.3949
Trypanosoma cruzi	UDP-galactose 4-epimerase	0.0055	0.0014	0.0037
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0096	0.011	0.0286
Plasmodium falciparum	carbonic anhydrase	0.0296	0.0575	0.1489
Schistosoma mansoni	histone deacetylase 1 2 3	0.0704	0.1525	0.3949
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0497	0.1041	0.2697
Toxoplasma gondii	Zn-finger in ubiquitin-hydrolases domain-containing protein	0.0096	0.011	0.0286
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.1709	0.3861	1
Echinococcus multilocularis	carbonic anhydrase	0.0296	0.0575	0.1489
Loa Loa (eye worm)	hypothetical protein	0.0926	0.2041	0.5286
Loa Loa (eye worm)	ubiquitin specific peptidase 39	0.0096	0.011	0.0286
Trypanosoma cruzi	histone deacetylase, putative	0.1411	0.3168	0.8204
Trypanosoma cruzi	histone deacetylase, putative	0.0704	0.1525	0.3949
Schistosoma mansoni	carbonic anhydrase-related	0.0296	0.0575	0.1489
Schistosoma mansoni	carbonic anhydrase-related	0.0296	0.0575	0.1489
Schistosoma mansoni	histone deacetylase hda2	0.1507	0.3392	0.8784
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0096	0.011	0.0286
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0055	0.0014	0.0037
Plasmodium vivax	histone deacetylase, putative	0.0704	0.1525	0.3949
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0296	0.0575	0.1489
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0096	0.011	0.0286
Trypanosoma cruzi	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0096	0.011	0.0286
Schistosoma mansoni	histone deacetylase	0.1709	0.3861	1
Echinococcus granulosus	histone deacetylase	0.1411	0.3168	0.8204
Leishmania major	histone deacetylase, putative	0.1709	0.3861	1
Schistosoma mansoni	histone deacetylase 4 5	0.1411	0.3168	0.8204
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0497	0.1041	0.2697
Trypanosoma cruzi	Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0096	0.011	0.0286
Echinococcus granulosus	histone deacetylase 3	0.1709	0.3861	1
Trichomonas vaginalis	histone deacetylase, putative	0.1709	0.3861	1
Schistosoma mansoni	ubiquitin-specific peptidase 44 (C19 family)	0.0096	0.011	0.0286
Loa Loa (eye worm)	histone deacetylase 1	0.1709	0.3861	1
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0096	0.011	0.0286
Trypanosoma brucei	histone deacetylase 2	0.0704	0.1525	0.3949
Loa Loa (eye worm)	histone deacetylase 7A	0.1411	0.3168	0.8204
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0096	0.011	0.0286
Trypanosoma cruzi	histone deacetylase, putative	0.1411	0.3168	0.8204
Toxoplasma gondii	histone deacetylase HDAC5	0.0704	0.1525	0.3949
Schistosoma mansoni	histone deacetylase	0.1709	0.3861	1
Toxoplasma gondii	histone deacetylase HDAC1	0.1411	0.3168	0.8204
Echinococcus granulosus	histone deacetylase 7	0.1411	0.3168	0.8204
Echinococcus multilocularis	histone deacetylase	0.1411	0.3168	0.8204
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0096	0.011	0.0286
Plasmodium falciparum	histone deacetylase 2	0.1411	0.3168	0.8204
Schistosoma mansoni	UDP-glucose 4-epimerase	0.0055	0.0014	0.0037
Trichomonas vaginalis	UDP-glucose 4-epimerase, putative	0.0055	0.0014	0.0037
Loa Loa (eye worm)	histone deacetylase 3	0.1709	0.3861	1
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase 13, putative	0.0096	0.011	0.0286
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0497	0.1041	0.2697
Trypanosoma brucei	histone deacetylase, putative	0.1411	0.3168	0.8204
Plasmodium vivax	U4/U6.U5 tri-snRNP-associated protein 2, putative	0.0096	0.011	0.0286
Mycobacterium ulcerans	mycothiol conjugate amidase Mca	0.4348	1	1
Echinococcus granulosus	u4:u6.u5 tri snrnp associated protein 2	0.0096	0.011	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0706	0.1529	0.396
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0296	0.0575	0.1489
Echinococcus multilocularis	carbonic anhydrase II	0.0497	0.1041	0.2697
Brugia malayi	Histone deacetylase family protein	0.1411	0.3168	0.8204
Loa Loa (eye worm)	histone deacetylase	0.1411	0.3168	0.8204
Trypanosoma brucei	histone deacetylase 3	0.1411	0.3168	0.8204
Echinococcus granulosus	histone deacetylase 1	0.1709	0.3861	1
Loa Loa (eye worm)	UDP galactose 4'-epimerase	0.0055	0.0014	0.0037
Brugia malayi	Histone deacetylase 1	0.1709	0.3861	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.1709	0.3861	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0497	0.1041	0.2697
Loa Loa (eye worm)	hypothetical protein	0.0296	0.0575	0.1489
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0096	0.011	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0803	0.1753	0.454
Schistosoma mansoni	family C19 non-peptidase homologue (C19 family)	0.0096	0.011	0.0286
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0296	0.0575	0.1489
Echinococcus multilocularis	histone deacetylase 6	0.1411	0.3168	0.8204
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0497	0.1041	0.2697
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.1709	0.3861	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.1709	0.3861	1
Echinococcus multilocularis	carbonic anhydrase	0.0296	0.0575	0.1489
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0096	0.011	0.0286
Schistosoma mansoni	histone deacetylase hda2	0.0704	0.1525	0.3949
Loa Loa (eye worm)	hypothetical protein	0.0296	0.0575	0.1489
Echinococcus granulosus	histone deacetylase 6	0.1411	0.3168	0.8204
Echinococcus granulosus	carbonic anhydrase	0.0296	0.0575	0.1489
Toxoplasma gondii	ubiquitin specific protease 39 isoform 2, putative	0.0096	0.011	0.0286
Leishmania major	histone deacetylase, putative	0.1411	0.3168	0.8204
Echinococcus granulosus	histone deacetylase 6	0.1507	0.3392	0.8784
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0497	0.1041	0.2697
Schistosoma mansoni	carbonic anhydrase	0.0296	0.0575	0.1489
Plasmodium falciparum	histone deacetylase, putative	0.1411	0.3168	0.8204
Giardia lamblia	UDP-glucose 4-epimerase	0.0053	0.001	0.0025
Echinococcus multilocularis	histone deacetylase 6	0.1411	0.3168	0.8204
Plasmodium falciparum	U4/U6.U5 tri-snRNP-associated protein 2, putative	0.0096	0.011	0.0286
Leishmania major	hypothetical protein, conserved	0.0096	0.011	0.0286
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 22	0.0096	0.011	0.0286
Toxoplasma gondii	hypothetical protein	0.009	0.0096	0.0249
Echinococcus granulosus	carbonic anhydrase	0.0296	0.0575	0.1489
Trypanosoma brucei	histone deacetylase 1	0.1709	0.3861	1
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0096	0.011	0.0286
Trypanosoma brucei	Ring finger domain/Zn-finger in ubiquitin-hydrolases and other protein, putative	0.0096	0.011	0.0286
Leishmania major	histone deacetylase, putative	0.1411	0.3168	0.8204
Echinococcus multilocularis	UDP glucose 4 epimerase	0.0055	0.0014	0.0037
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase 13, putative	0.0096	0.011	0.0286
Leishmania major	histone deacetylase, putative	0.1709	0.3861	1
Loa Loa (eye worm)	carbonic anhydrase 3	0.0497	0.1041	0.2697
Echinococcus multilocularis	BRCA1 associated protein	0.0096	0.011	0.0286
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase, putative	0.0096	0.011	0.0286
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0096	0.011	0.0286
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0096	0.011	0.0286
Echinococcus multilocularis	histone deacetylase 7	0.1411	0.3168	0.8204

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.5623 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 1.5849 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 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)	16.3601 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)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 25.0594 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	29.0929 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
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	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

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: CHEMBL1534519

Bibliographic References

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Detailed information for compound 1384869