TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 443.559 | Formula: C23H29N3O4S
H donors: 1 H acceptors: 3 LogP: 2.98 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1Cc2c(C1)cccc2)C
InChi: 1S/C23H29N3O4S/c1-25(2)31(28,29)26-13-11-22(12-14-26)30-21-9-7-17(8-10-21)23(27)24-20-15-18-5-3-4-6-19(18)16-20/h3-10,20,22H,11-16H2,1-2H3,(H,24,27)
InChiKey: JMQKYJOTSYKCSF-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 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
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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 japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
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 granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	CMGC family protein kinase	0.0093	0.3154	0.331
Echinococcus multilocularis	cyclin dependent kinase	0.0093	0.3154	0.3154
Loa Loa (eye worm)	hypothetical protein	0.0092	0.3111	0.3111
Plasmodium falciparum	protein serine/threonine kinase-1	0.0254	0.9529	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0207	0.0217
Trichomonas vaginalis	cyclins, putative	0.0033	0.0768	0.0806
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.0768	0.0806
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0093	0.3154	0.2724
Entamoeba histolytica	protein kinase domain containing protein	0.0051	0.1484	0.3729
Trichomonas vaginalis	CMGC family protein kinase	0.0114	0.3981	0.4178
Echinococcus granulosus	cyclin dependent kinase 9	0.0059	0.1809	0.1809
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.3154	0.3154
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0254	0.9529	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1084	0.1137
Giardia lamblia	G2/mitotic-specific cyclin B	0.0033	0.0768	0.0806
Brugia malayi	Protein kinase domain containing protein	0.0254	0.9529	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0093	0.3154	0.2724
Entamoeba histolytica	hypothetical protein	0.0043	0.1175	0.2951
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1839	0.193
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.0254	0.9529	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0097	0.3295	0.2885
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0768	0.0768
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0093	0.3154	0.3154
Trichomonas vaginalis	cyclins, putative	0.0033	0.0768	0.0806
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0207	0.0207
Schistosoma mansoni	serine/threonine protein kinase	0.0254	0.9529	0.9529
Schistosoma mansoni	serine/threonine protein kinase	0.0114	0.3981	0.3981
Echinococcus multilocularis	cyclin dependent kinase 9	0.0059	0.1809	0.1809
Echinococcus granulosus	dual specificity	0.0114	0.3981	0.3981
Brugia malayi	hypothetical protein	0.0043	0.1175	0.1233
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0097	0.3295	0.3295
Trypanosoma brucei	cdc2-related kinase 3	0.0093	0.3154	0.2724
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0266	1	1
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0266	1	1
Brugia malayi	Protein kinase domain containing protein	0.0097	0.3295	0.3458
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1643	0.1643
Echinococcus granulosus	GPCR family 2	0.0019	0.0207	0.0207
Echinococcus multilocularis		0.0249	0.9345	0.9345
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0114	0.3981	0.3668
Echinococcus multilocularis	cyclin B	0.0033	0.0768	0.0768
Echinococcus granulosus	hypothetical protein	0.0249	0.9345	0.9345
Echinococcus granulosus	dual specificity	0.0114	0.3981	0.3981
Schistosoma mansoni	hypothetical protein	0.0019	0.0207	0.0207
Echinococcus multilocularis	dual specificity	0.0114	0.3981	0.3981
Entamoeba histolytica	hypothetical protein	0.0097	0.3295	0.8277
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.1175	0.1175
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.0254	0.9529	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1643	0.1643
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0219	0.0219
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0093	0.3154	0.2724
Trypanosoma cruzi	cdc2-related kinase 3	0.0093	0.3154	0.2724
Onchocerca volvulus		0.0033	0.0768	0.5
Schistosoma mansoni	kinase	0.0051	0.1484	0.1484
Giardia lamblia	Kinase, CMGC CDK	0.0093	0.3154	0.331
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0207	0.0207
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.1175	0.1175
Trichomonas vaginalis	cyclin B, putative	0.0033	0.0768	0.0806
Schistosoma mansoni	hypothetical protein	0.0019	0.0207	0.0207
Entamoeba histolytica	cell division protein kinase 2, putative	0.0093	0.3154	0.7923
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1643	0.1724
Schistosoma mansoni	serine/threonine protein kinase	0.0097	0.3295	0.3295
Echinococcus multilocularis	cyclin dependent kinase 1	0.0093	0.3154	0.3154
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1643	0.1643
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.1484	0.1484
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1643	0.1643
Brugia malayi	cyclin-dependent kinase 9	0.0051	0.1484	0.1558
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0114	0.3981	0.3668
Echinococcus granulosus	cyclin dependent kinase 1	0.0093	0.3154	0.3154
Echinococcus granulosus	cyclin B	0.0033	0.0768	0.0768
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0097	0.3295	0.2885
Echinococcus granulosus	cyclin dependent kinase 9	0.0051	0.1484	0.1484
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0207	0.0207
Brugia malayi	Protein kinase domain containing protein	0.0093	0.3154	0.331
Loa Loa (eye worm)	hypothetical protein	0.0127	0.4501	0.4501
Trichomonas vaginalis	cyclin B, putative	0.0033	0.0768	0.0806
Schistosoma mansoni	serine/threonine protein kinase	0.0254	0.9529	0.9529
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0768	0.0768
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0114	0.3981	0.3668
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0207	0.0207
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.517	0.517
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1643	0.1643
Entamoeba histolytica	cell division protein kinase 2, putative	0.0102	0.3478	0.8738
Echinococcus multilocularis	cyclin dependent kinase 5	0.0093	0.3154	0.3154
Trichomonas vaginalis	CMGC family protein kinase	0.0093	0.3154	0.331
Trypanosoma cruzi	cdc2-related kinase 1	0.0093	0.3154	0.2724
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1643	0.1643
Echinococcus multilocularis	dual specificity	0.0114	0.3981	0.3981
Trichomonas vaginalis	cyclin A, putative	0.0033	0.0768	0.0806
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1643	0.1643
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1839	0.1839
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0093	0.3154	0.3154
Trichomonas vaginalis	cyclin B, putative	0.0033	0.0768	0.0806
Brugia malayi	cell division control protein 2 homolog	0.0093	0.3154	0.331
Trichomonas vaginalis	CMGC family protein kinase	0.0114	0.3981	0.4178
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0207	0.0207
Loa Loa (eye worm)	CMGC/CDK/CDK9 protein kinase	0.0051	0.1484	0.1484
Giardia lamblia	Kinase, CMGC CDK	0.0093	0.3154	0.331
Loa Loa (eye worm)	hypothetical protein	0.0266	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.517	0.517
Giardia lamblia	Kinase, CMGC CLK	0.0254	0.9529	1
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.3154	0.3154
Echinococcus multilocularis	cyclin dependent kinase 1	0.0093	0.3154	0.3154
Loa Loa (eye worm)	hypothetical protein	0.0127	0.4501	0.4501
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.1175	0.1175
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0114	0.3981	0.3981
Entamoeba histolytica	hypothetical protein	0.0043	0.1175	0.2951
Trichomonas vaginalis	cyclins, putative	0.0023	0.0351	0.0369
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1643	0.1643
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0097	0.3295	0.2885
Echinococcus multilocularis	dual specificity	0.0114	0.3981	0.3981
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.0254	0.9529	0.9529
Schistosoma mansoni	hypothetical protein	0.0041	0.1084	0.1084
Trypanosoma brucei	cdc2-related kinase 1	0.0093	0.3154	0.2724
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0114	0.3981	0.1297
Trichomonas vaginalis	CMGC family protein kinase	0.0093	0.3154	0.331
Plasmodium falciparum	protein kinase 5	0.0093	0.3154	0.331
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0093	0.3154	0.3154
Entamoeba histolytica	protein kinase domain containing protein	0.0097	0.3295	0.8277
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0207	0.0207
Schistosoma mansoni	hypothetical protein	0.0043	0.1175	0.1175
Entamoeba histolytica	protein kinase domain containing protein	0.0114	0.3981	1
Plasmodium vivax	serine/threonine kinase-1, putative	0.0254	0.9529	1
Trichomonas vaginalis	CMGC family protein kinase	0.0254	0.9529	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1839	0.1839
Loa Loa (eye worm)	hypothetical protein	0.0249	0.9345	0.9345
Trichomonas vaginalis	cyclins, putative	0.0033	0.0768	0.0806
Trichomonas vaginalis	cyclin B, putative	0.0033	0.0768	0.0806
Echinococcus multilocularis	cyclin dependent kinase 9	0.0051	0.1484	0.1484
Entamoeba histolytica	cyclin, putative	0.0033	0.0768	0.1928
Entamoeba histolytica	protein kinase, putative	0.0114	0.3981	1
Entamoeba histolytica	protein kinase, putative	0.0097	0.3295	0.8277
Trichomonas vaginalis	CMGC family protein kinase	0.0114	0.3981	0.4178
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0093	0.3154	0.3154
Leishmania major	protein kinase, putative	0.0254	0.9529	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.297	0.297
Echinococcus granulosus	dual specificity protein kinase clk2	0.0254	0.9529	0.9529
Schistosoma mansoni	cyclin B	0.0033	0.0768	0.0768
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1839	0.193
Trichomonas vaginalis	CMGC family protein kinase	0.0114	0.3981	0.4178
Trichomonas vaginalis	CMGC family protein kinase	0.0114	0.3981	0.4178
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0033	0.0768	0.0806
Echinococcus granulosus	cyclin dependent kinase	0.0093	0.3154	0.3154
Trichomonas vaginalis	cyclins, putative	0.0033	0.0768	0.0806
Brugia malayi	MH2 domain containing protein	0.0144	0.517	0.5426
Leishmania major	protein kinase, putative	0.0254	0.9529	1
Echinococcus multilocularis	dual specificity protein kinase clk2	0.0254	0.9529	0.9529
Echinococcus multilocularis	dual specificity	0.0097	0.3295	0.3295
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.0254	0.9529	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.0254	0.9529	1
Echinococcus granulosus	cyclin dependent kinase 5	0.0093	0.3154	0.3154
Brugia malayi	hypothetical protein	0.0127	0.4501	0.4724
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0207	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0092	0.3111	0.3111
Giardia lamblia	Kinase, CMGC DYRK	0.0114	0.3981	0.4178
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0254	0.9529	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.0254	0.9529	1
Echinococcus granulosus	dual specificity	0.0097	0.3295	0.3295
Trypanosoma cruzi	cdc2-related kinase 1	0.0093	0.3154	0.2724
Entamoeba histolytica	hypothetical protein	0.0043	0.1175	0.2951
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0114	0.3981	0.4178
Trichomonas vaginalis	CMGC family protein kinase	0.0114	0.3981	0.4178
Echinococcus granulosus	dual specificity	0.0114	0.3981	0.3981
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1084	0.1084
Entamoeba histolytica	hypothetical protein	0.0043	0.1175	0.2951
Schistosoma mansoni	hypothetical protein	0.0019	0.0207	0.0207
Entamoeba histolytica	protein kinase, putative	0.0097	0.3295	0.8277
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0207	0.0217
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0097	0.3295	0.2885
Schistosoma mansoni	hypothetical protein	0.0019	0.0207	0.0207

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7667 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.2643 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)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 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)	10 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)	11.2202 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (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)	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)	25.1189 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1482448

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1348126