TDR Targets

Basic information

Technical information

TDR Targets ID: 1315266
Name: 2-[(3-fluorophenyl)-[2-[(4-methylphenyl)sulfo nylamino]acetyl]amino]-N-(oxolan-2-ylmethyl)a cetamide
MW: 463.522 | Formula: C22H26FN3O5S
H donors: 2 H acceptors: 4 LogP: 2.19 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN(c1cccc(c1)F)C(=O)CNS(=O)(=O)c1ccc(cc1)C)NCC1CCCO1
InChi: 1S/C22H26FN3O5S/c1-16-7-9-20(10-8-16)32(29,30)25-14-22(28)26(18-5-2-4-17(23)12-18)15-21(27)24-13-19-6-3-11-31-19/h2,4-5,7-10,12,19,25H,3,6,11,13-15H2,1H3,(H,24,27)
InChiKey: FRZPHDZNDHHXQG-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-[(3-fluorophenyl)-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(tetrahydrofuran-2-ylmethyl)acetamide
2-[(3-fluorophenyl)-[2-[(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-N-(2-tetrahydrofuranylmethyl)acetamide
2-[(3-fluorophenyl)-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(tetrahydrofurfuryl)acetamide
2-[(3-fluorophenyl)-[2-[(4-methylphenyl)sulfonylamino]ethanoyl]amino]-N-(oxolan-2-ylmethyl)ethanamide
ASN 05453301

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	v-ets avian erythroblastosis virus E26 oncogene homolog	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Brugia malayi	Fli-1 protein	Get druggable targets OG5_131947	All targets in OG5_131947
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	ets-related	Get druggable targets OG5_131947	All targets in OG5_131947
Schistosoma japonicum	ko:K09435 transcriptional regulator ERG, putative	Get druggable targets OG5_131947	All targets in OG5_131947
Loa Loa (eye worm)	fli-1 protein	Get druggable targets OG5_131947	All targets in OG5_131947
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0077	0.258	0.4425
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0164	0.5795	0.6029
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0179	0.0077
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0164	0.5795	0.6029
Brugia malayi	hypothetical protein	0.0087	0.2924	0.2989
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0164	0.5795	0.606
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0106	0.0136
Echinococcus granulosus	ETS transcription factor Elf 2	0.0013	0.0179	0.0261
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.132	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0077	0.258	0.4425
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.132	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0164	0.5795	0.606
Echinococcus granulosus	ETS transcription factor Elf 2	0.0013	0.0179	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1285
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0077	0.258	0.3303
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0164	0.5795	0.6027
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.132	0.129
Echinococcus multilocularis	GA binding protein alpha chain	0.0087	0.2949	0.5064
Brugia malayi	beta-lactamase	0.0043	0.132	0.129
Brugia malayi	tailless protein	0.0077	0.258	0.2625
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0164	0.5795	0.6029
Echinococcus granulosus	FTZ F1 alpha	0.0164	0.5795	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1285
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.2143	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Brugia malayi	Ets-domain containing protein	0.0087	0.2949	0.3015
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Echinococcus granulosus	GA binding protein alpha chain	0.0087	0.2949	0.5064
Echinococcus multilocularis	cpg binding protein	0.0037	0.1067	0.1801
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0077	0.258	0.2681
Brugia malayi	nuclear receptor NHR-88	0.0077	0.258	0.2625
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.132	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.132	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5795	0.6027
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2924	0.2985
Onchocerca volvulus	Protein ultraspiracle homolog	0.0164	0.5795	1
Brugia malayi	Steroid receptor seven-up type 2	0.0164	0.5795	0.6029
Echinococcus multilocularis	ETS transcription factor Elf 1	0.0013	0.0179	0.0261
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.132	0.224
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0164	0.5795	1
Brugia malayi	transcription factor E74 isoform	0.0013	0.0179	0.0082
Schistosoma mansoni	hypothetical protein	0.0013	0.0179	0.0158
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0164	0.5795	0.606
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.132	0.1285
Brugia malayi	nuclear receptor RXR	0.0077	0.258	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1285
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0164	0.5795	0.6029
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0164	0.5795	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0164	0.5795	0.6029
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0087	0.2924	0.3043
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0164	0.5795	0.6027
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5795	0.6027
Echinococcus granulosus	ecdysone induced protein 78C	0.0164	0.5795	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.132	0.1357
Brugia malayi	nuclear receptor NHR-67	0.0077	0.258	0.2625
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0164	0.5795	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0164	0.5795	0.6029
Echinococcus multilocularis	nuclear receptor nhr 48	0.0077	0.258	0.4425
Echinococcus granulosus	ETS transcription factor Elf 5	0.0013	0.0179	0.0261
Brugia malayi	Ets-domain containing protein	0.0013	0.0179	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0179	0.0077
Echinococcus multilocularis	ETS transcription factor Elf 2	0.0013	0.0179	0.0261
Echinococcus multilocularis	ETS transcription factor Elf 5	0.0013	0.0179	0.0261
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0077	0.258	0.4425
Schistosoma mansoni	elf1	0.0013	0.0179	0.0158
Brugia malayi	photoreceptor-specific nuclear receptor	0.0164	0.5795	0.6029
Schistosoma mansoni	ets-related	0.0013	0.0179	0.0158
Onchocerca volvulus		0.0043	0.132	0.0679
Loa Loa (eye worm)	beta-lactamase	0.0043	0.132	0.1285
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0077	0.258	0.4425
Leishmania major	hypothetical protein, conserved	0.0043	0.132	0.5
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0013	0.0179	0.0077
Schistosoma mansoni	nuclear hormone receptor	0.0164	0.5795	0.606
Brugia malayi	hypothetical protein	0.0077	0.258	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Loa Loa (eye worm)	D-ets-2 protein	0.0013	0.0179	0.0077
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0077	0.258	0.4425
Schistosoma mansoni	ets	0.0013	0.0179	0.0158
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0087	0.2949	0.3011
Brugia malayi	nuclear hormone receptor family member odr-7	0.0077	0.258	0.2625
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.132	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0164	0.5795	0.606
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2924	0.2985
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Echinococcus granulosus	cpg binding protein	0.0037	0.1067	0.1801
Schistosoma mansoni	ets-related	0.0265	0.9545	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0164	0.5795	1
Brugia malayi	nuclear hormone receptor	0.0164	0.5795	0.6029
Brugia malayi	Fli-1 protein	0.0265	0.9545	1
Loa Loa (eye worm)	DR-78	0.0077	0.258	0.2621
Echinococcus granulosus	protein C ets 2	0.0013	0.0179	0.0261
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0087	0.2924	0.2985
Echinococcus multilocularis	ewsr:fli fusion protein type	0.0013	0.0179	0.0261
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0077	0.258	0.2625
Schistosoma mansoni	nuclear receptor	0.0077	0.258	0.2681
Loa Loa (eye worm)	fli-1 protein	0.0265	0.9545	1
Mycobacterium ulcerans	hypothetical protein	0.0043	0.132	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0077	0.258	0.2621
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0077	0.258	0.3303
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5795	0.6027
Echinococcus granulosus	ewsr:fli fusion protein type	0.0013	0.0179	0.0261
Schistosoma mansoni	cpg binding protein	0.0035	0.0994	0.1015
Brugia malayi	nuclear hormone receptor	0.0077	0.258	0.2625
Brugia malayi	Nuclear hormone receptor E75	0.0077	0.258	0.2625
Onchocerca volvulus	Bile acid receptor homolog	0.0164	0.5795	1
Echinococcus multilocularis	ets variant gene 4	0.0013	0.0179	0.0261
Brugia malayi	Nuclear hormone receptor E75	0.0077	0.258	0.2625
Schistosoma mansoni	cpg binding protein	0.0037	0.1067	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2924	0.2985
Mycobacterium leprae	Probable lipase LipE	0.0043	0.132	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0164	0.5795	0.6029
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0087	0.2924	0.5022
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0164	0.5795	0.606
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0164	0.5795	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0164	0.5795	0.6027
Onchocerca volvulus		0.0164	0.5795	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0164	0.5795	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.132	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0164	0.5795	0.606
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Brugia malayi	Nuclear hormone receptor-like 1	0.0087	0.2924	0.2989
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.2434	0.2528
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0164	0.5795	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0077	0.258	0.4425
Onchocerca volvulus		0.0077	0.258	0.3303
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5795	0.6027
Brugia malayi	nuclear receptor RXR	0.0087	0.2924	0.2989
Schistosoma mansoni	nuclear hormone receptor	0.0077	0.258	0.2681
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0164	0.5795	1
Loa Loa (eye worm)	DNA-binding protein D-ETS-3	0.0013	0.0179	0.0077
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0164	0.5795	0.6029
Schistosoma mansoni	nuclear receptor nhr-48	0.0077	0.258	0.2681
Schistosoma mansoni	gabp alpha	0.0087	0.2949	0.3069
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0164	0.5795	0.6029
Echinococcus multilocularis	ETS domain containing protein Elk 1	0.0013	0.0179	0.0261
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0994	0.0945
Schistosoma mansoni	nuclear receptor	0.0077	0.258	0.2681
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0077	0.258	0.4425
Echinococcus multilocularis	FTZ F1 alpha	0.0164	0.5795	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0077	0.258	0.2621
Brugia malayi	conserved hypotetical protein	0.0077	0.258	0.2625
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0164	0.5795	0.6027
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.132	0.5
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5795	0.6027
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0164	0.5795	0.6029
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1285
Echinococcus multilocularis	ecdysone induced protein 78C	0.0164	0.5795	1
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.5795	0.606
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0106	0.0136
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.132	1
Mycobacterium ulcerans	beta-lactamase	0.0043	0.132	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2479	0.2514
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.5795	0.606
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.132	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.132	0.1357
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.132	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0164	0.5795	0.6029
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0087	0.2924	0.5022
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0164	0.5795	0.606
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0164	0.5795	1
Onchocerca volvulus		0.0043	0.132	0.0679
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0164	0.5795	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0994	0.094
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0164	0.5795	0.6029
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0164	0.5795	0.6029
Echinococcus multilocularis	protein C ets 2	0.0013	0.0179	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0164	0.5795	0.6029
Schistosoma mansoni	zinc finger protein	0.0077	0.258	0.2681
Schistosoma mansoni	cpg binding protein	0.0037	0.1067	0.1092
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5795	0.6027
Echinococcus granulosus	nuclear receptor nhr 48	0.0077	0.258	0.4425
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0164	0.5795	0.6027
Brugia malayi	beta-lactamase family protein	0.0043	0.132	0.129
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0077	0.258	0.2681
Echinococcus granulosus	thyroid hormone receptor alpha	0.0077	0.258	0.4425
Mycobacterium ulcerans	lipase LipD	0.0043	0.132	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0164	0.5795	1
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5795	0.6027
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0077	0.258	0.4425
Trichomonas vaginalis	esterase, putative	0.0043	0.132	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2924	0.2985
Brugia malayi	nuclear receptor NHR-88	0.0164	0.5795	0.6029
Loa Loa (eye worm)	hypothetical protein	0.0043	0.132	0.1285
Brugia malayi	hypothetical protein	0.0077	0.258	0.2625
Onchocerca volvulus		0.0043	0.132	0.0679
Brugia malayi	Ets-domain containing protein	0.0087	0.2949	0.3015
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0164	0.5795	0.6027
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0164	0.5795	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0164	0.5795	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0164	0.5795	0.6027
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0077	0.258	0.2625
Brugia malayi	hypothetical protein	0.0087	0.2924	0.2989
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0164	0.5795	0.606
Brugia malayi	ecdysteroid receptor	0.0164	0.5795	0.6029
Loa Loa (eye worm)	hypothetical protein	0.0164	0.5795	0.6027
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0077	0.258	0.4425
Brugia malayi	steroid hormone receptor	0.0164	0.5795	0.6029
Loa Loa (eye worm)	ets-domain-containing protein	0.0013	0.0179	0.0077
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.132	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0164	0.5795	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0087	0.2924	0.3043
Brugia malayi	beta-lactamase family protein	0.0043	0.132	0.129
Echinococcus granulosus	ETS domain containing protein Elk 1	0.0013	0.0179	0.0261
Brugia malayi	ecdysone receptor	0.0077	0.258	0.2625
Schistosoma mansoni	hypothetical protein	0.0013	0.0179	0.0158
Schistosoma mansoni	RAR-like nuclear receptor	0.0164	0.5795	0.606
Echinococcus multilocularis	ETS transcription factor Elf 2	0.0013	0.0179	0.0261
Brugia malayi	DNA-binding protein D-ETS-3	0.0013	0.0179	0.0082
Schistosoma mansoni	polyomavirus enhancer activator 3 pea3	0.0013	0.0179	0.0158
Brugia malayi	Nuclear hormone receptor-like 1	0.0087	0.2924	0.2989
Echinococcus granulosus	ETS transcription factor Elf 1	0.0013	0.0179	0.0261
Loa Loa (eye worm)	steroid hormone receptor	0.0164	0.5795	0.6027
Onchocerca volvulus		0.0077	0.258	0.3303
Schistosoma mansoni	coup transcription factor	0.0164	0.5795	0.606
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.132	0.224
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.132	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.258	0.2621
Brugia malayi	orphan nuclear receptor NR2E1	0.0077	0.258	0.2625
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0164	0.5795	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0077	0.258	0.2621
Schistosoma mansoni	nuclear hormone receptor	0.0077	0.258	0.2681
Loa Loa (eye worm)	hypothetical protein	0.0087	0.2924	0.2985

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory)	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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1458976

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1315266