TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 615.206 | Formula: C30H35ClN4O4S2
H donors: 0 H acceptors: 4 LogP: 5.94 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CCOc1ccc2c(c1)sc(n2)N(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cccc2)CCCN(C)C.Cl
InChi: 1S/C30H34N4O4S2.ClH/c1-4-38-25-12-15-27-28(20-25)39-30(31-27)34(18-7-17-32(2)3)29(35)23-10-13-26(14-11-23)40(36,37)33-19-16-22-8-5-6-9-24(22)21-33;/h5-6,8-15,20H,4,7,16-19,21H2,1-3H3;1H
InChiKey: UXWDDHIHUNKPIJ-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
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references
Homo sapiens	_UBC13, UbcH-ben, UbcH13	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	post-replication repair	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma brucei gambiense	ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium knowlesi	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Neospora caninum	Ubiquitin carrier protein (EC 6.3.2.-), related	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma brucei	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma congolense	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	Get druggable targets OG5_127739	All targets in OG5_127739
Theileria parva	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Cryptosporidium hominis	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania major	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania donovani	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	Ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	ubiquitin conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Candida albicans	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	ko:K10580 ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania mexicana	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Plasmodium berghei	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania braziliensis	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma mansoni	ubiquitin conjugating enzyme 13	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania infantum	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Cryptosporidium parvum	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Babesia bovis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ubiquitin-conjugating enzyme E2, putative	_UBC13, UbcH-ben, UbcH13	152 aa	153 aa	32.0 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.103	1
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.103	0.1389
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0046	0.0557	0.5267
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0031	0.0297
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0699	0.6792
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0031	0.0297
Leishmania major	telomerase reverse transcriptase, putative	0.0179	0.2616	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0179	0.2616	1
Toxoplasma gondii	RNA-directed DNA polymerase	0.0179	0.2616	1
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0179	0.2616	1
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0179	0.2616	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0699	0.6792
Plasmodium falciparum	telomerase reverse transcriptase	0.0179	0.2616	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0031	0.0297
Brugia malayi	Telomerase reverse transcriptase	0.0475	0.7225	1
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.001	0	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0031	0.0297
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0046	0.0557	0.5407
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.103	1
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.103	1
Trypanosoma brucei	telomerase reverse transcriptase	0.0179	0.2616	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0557	1
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0699	0.6792
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0031	0.0297
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0699	0.6792
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0031	0.0297
Brugia malayi	RNA binding protein	0.0076	0.103	0.1389
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0031	0.0297
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0031	0.0297
Mycobacterium ulcerans	bacterioferritin BfrB	0.001	0	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.103	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0031	0.0297
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0031	0.0297
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0031	0.0297
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0031	0.0297
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0031	0.0297
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.001	0	0.5
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.001	0	0.5
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0046	0.0557	0.5
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0046	0.0557	0.5407
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.103	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0031	0.0297
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0031	0.0297
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0031	0.0297
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0031	0.0297
Schistosoma mansoni	coup transcription factor	0.0012	0.0031	0.0297
Treponema pallidum	bacterioferrin (TpF1)	0.001	0	0.5
Loa Loa (eye worm)	RNA binding protein	0.0076	0.103	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0046	0.0557	0.5267
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.103	1
Mycobacterium ulcerans	bacterioferritin BfrA	0.001	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0699	0.6792
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0031	0.0297
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0699	0.6792
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0031	0.0297
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0031	0.0297
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0031	0.0297
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0046	0.0557	0.0732
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0031	0.0297
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0031	0.0297
Giardia lamblia	Telomerase catalytic subunit	0.0179	0.2616	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0031	0.0297
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0699	0.093
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0031	0.0297
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0046	0.0557	0.5407
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0031	0.0297
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.103	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0557	1
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0046	0.0557	0.0732
Brugia malayi	TAR-binding protein	0.0076	0.103	0.1389
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0699	0.6693
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0031	0.0297
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0031	0.0297
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.103	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0031	0.0297
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0031	0.0297
Echinococcus granulosus	tar DNA binding protein	0.0076	0.103	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0699	0.6792

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 100 uM	PUBCHEM_BIOASSAY: Dose Response screen for agonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule agonists hits of the APJ receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2520, AID2580]	ChEMBL.	No reference
IC50 (functional)	= 5.521 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay reconfirm. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493155]	ChEMBL.	No reference
IC50 (functional)	= 6.95 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182]	ChEMBL.	No reference
IC50 (functional)	> 20 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of UBC13 Polyubiquitin Inhibitors using a Bfl-1 counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343]	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 11.2202 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)	11.2202 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)	11.6891 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)	18.526 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)	= 22.3872 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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)	29.0929 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)	32.6427 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	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: CHEMBL1549666

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1410364