TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 467.537 | Formula: C24H25N3O5S
H donors: 2 H acceptors: 4 LogP: 3.81 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1N(S(=O)(=O)c1ccc(cc1)C)CC(=O)N/N=C(/c1ccccc1O)\C
InChi: 1S/C24H25N3O5S/c1-17-12-14-19(15-13-17)33(30,31)27(21-9-5-7-11-23(21)32-3)16-24(29)26-25-18(2)20-8-4-6-10-22(20)28/h4-15,28H,16H2,1-3H3,(H,26,29)/b25-18+
InChiKey: TXNAQDMOSHXNBA-XIEYBQDHSA-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	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.004	0.0441	0.0441
Plasmodium falciparum	plasmepsin VI	0.0171	0.3132	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0051	0.0661	0.2497
Brugia malayi	Pepsin A precursor	0.004	0.0441	0.1663
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0051	0.0661	0.2497
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0148	0.2649	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0171	0.3132	1
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0051	0.0661	0.2497
Brugia malayi	Eukaryotic aspartyl protease family protein	0.004	0.0441	0.1663
Schistosoma mansoni	cathepsin D (A01 family)	0.0505	1	1
Plasmodium vivax	aspartyl protease, putative	0.004	0.0441	0.1407
Loa Loa (eye worm)	thioredoxin reductase	0.0148	0.2649	0.8458
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0846	0.2702
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0051	0.0661	0.2497
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0502	0.1313
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0051	0.0661	0.2497
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0502	0.0502
Brugia malayi	glutathione reductase	0.0148	0.2649	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.004	0.0441	0.0441
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0148	0.2649	0.6937
Brugia malayi	hypothetical protein	0.0043	0.0502	0.1893
Onchocerca volvulus		0.004	0.0441	0.5
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0051	0.0661	0.2497
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0051	0.0661	0.5
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0051	0.0661	0.5
Toxoplasma gondii	aspartyl protease ASP1	0.0171	0.3132	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.3132	1
Toxoplasma gondii	aspartyl protease	0.004	0.0441	0.1407
Plasmodium falciparum	plasmepsin II	0.0171	0.3132	1
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0171	0.3132	1
Toxoplasma gondii	thioredoxin reductase	0.0148	0.2649	0.8458
Brugia malayi	Thioredoxin reductase	0.0148	0.2649	1
Schistosoma mansoni	hypothetical protein	0.0205	0.3819	0.3819
Plasmodium vivax	aspartyl protease, putative	0.004	0.0441	0.1407
Plasmodium vivax	aspartyl protease, putative	0.004	0.0441	0.1407
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0051	0.0661	0.5
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0051	0.0661	0.2112
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0051	0.0661	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0454	0.1715
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0051	0.0661	0.2497
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0171	0.3132	0.8201
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0051	0.0661	0.2112
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.004	0.0441	0.0441
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.004	0.0441	0.0441
Brugia malayi	aspartic protease BmAsp-1, identical	0.004	0.0441	0.1663
Mycobacterium tuberculosis	Probable oxidoreductase	0.0051	0.0661	0.2497
Treponema pallidum	NADH oxidase	0.0051	0.0661	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0051	0.0661	0.2497
Loa Loa (eye worm)	aspartyl protease 6	0.004	0.0441	0.1407
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0051	0.0661	0.5
Plasmodium falciparum	plasmepsin V	0.004	0.0441	0.1407
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0502	0.1313
Toxoplasma gondii	aspartyl protease ASP3	0.004	0.0441	0.1407
Plasmodium vivax	thioredoxin reductase, putative	0.0148	0.2649	0.8458
Plasmodium falciparum	plasmepsin I	0.0171	0.3132	1
Plasmodium vivax	aspartyl proteinase, putative	0.0171	0.3132	1
Plasmodium falciparum	plasmepsin VII	0.004	0.0441	0.1407
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0051	0.0661	0.2497
Plasmodium falciparum	plasmepsin IV	0.0171	0.3132	1
Plasmodium falciparum	glutathione reductase	0.0051	0.0661	0.2112
Brugia malayi	aspartic protease BmAsp-2, identical	0.004	0.0441	0.1663
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0051	0.0661	0.2497
Plasmodium vivax	glutathione reductase, putative	0.0148	0.2649	0.8458
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0051	0.0661	0.5
Loa Loa (eye worm)	hypothetical protein	0.006	0.0846	0.2702
Schistosoma mansoni	hypothetical protein	0.0205	0.3819	0.3819
Echinococcus granulosus	thioredoxin glutathione reductase	0.0148	0.2649	0.6937
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0051	0.0661	0.2497
Echinococcus multilocularis	geminin	0.0205	0.3819	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.004	0.0441	0.0441
Entamoeba histolytica	hypothetical protein	0.0043	0.0502	0.5
Toxoplasma gondii	NADPH-glutathione reductase	0.0051	0.0661	0.2112
Trypanosoma brucei	trypanothione reductase	0.0148	0.2649	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0051	0.0661	0.2112
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0051	0.0661	0.5
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0038	0.0382	0.144
Schistosoma mansoni	memapsin-2 (A01 family)	0.004	0.0441	0.0441
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0846	0.3195
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0051	0.0661	0.2112
Onchocerca volvulus		0.004	0.0441	0.5
Brugia malayi	hypothetical protein	0.004	0.0441	0.1663
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0051	0.0661	0.2497
Schistosoma mansoni	hypothetical protein	0.0043	0.0502	0.0502
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0051	0.0661	0.2112
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0171	0.3132	0.8201
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0051	0.0661	0.1732
Trypanosoma cruzi	trypanothione reductase, putative	0.0051	0.0661	0.2497
Plasmodium falciparum	plasmepsin VIII, putative	0.004	0.0441	0.1407
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.004	0.0441	0.0441
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0051	0.0661	0.2497
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0051	0.0661	0.2497
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0051	0.0661	0.2497
Plasmodium falciparum	thioredoxin reductase	0.0148	0.2649	0.8458
Plasmodium falciparum	plasmepsin III	0.004	0.0441	0.1407
Trypanosoma cruzi	trypanothione reductase, putative	0.0148	0.2649	1
Plasmodium falciparum	plasmepsin IX	0.004	0.0441	0.1407
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0454	0.1451
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0051	0.0661	0.0661
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0051	0.0661	0.2497
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.004	0.0441	0.1407
Loa Loa (eye worm)	hypothetical protein	0.004	0.0441	0.1407
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0171	0.3132	0.3132
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0038	0.0382	0.144
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0051	0.0661	0.2497
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0051	0.0661	0.1732
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0051	0.0661	0.2497
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0171	0.3132	1
Leishmania major	trypanothione reductase	0.0148	0.2649	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0454	0.0454
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0051	0.0661	0.2497
Plasmodium vivax	aspartyl proteinase, putative	0.004	0.0441	0.1407
Plasmodium falciparum	glutathione reductase	0.0148	0.2649	0.8458
Entamoeba histolytica	hypothetical protein	0.0043	0.0502	0.5
Plasmodium vivax	plasmepsin V, putative	0.004	0.0441	0.1407
Plasmodium falciparum	thioredoxin reductase	0.0051	0.0661	0.2112
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.004	0.0441	0.0441
Plasmodium falciparum	plasmepsin X	0.004	0.0441	0.1407
Echinococcus granulosus	geminin	0.0205	0.3819	1
Plasmodium vivax	plasmepsin IV, putative	0.0171	0.3132	1
Loa Loa (eye worm)	glutathione reductase	0.0148	0.2649	0.8458
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0051	0.0661	0.2497
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0051	0.0661	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0.0502	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0846	0.3195
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.004	0.0441	0.1407
Entamoeba histolytica	hypothetical protein	0.0043	0.0502	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.004	0.0441	0.0441
Brugia malayi	hypothetical protein	0.004	0.0441	0.1663
Loa Loa (eye worm)	hypothetical protein	0.004	0.0441	0.1407

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)	= 0.7079 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.1095 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)	4.1095 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)	5.6234 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)	8.1995 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (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)	12.5893 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)	18.526 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)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	29.081 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)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	100 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL3199937

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1878894