TDR Targets

Basic information

Technical information

TDR Targets ID: 1393282
Name: Oprea1_698963
MW: 293.404 | Formula: C14H15NO2S2
H donors: 0 H acceptors: 2 LogP: 2.8 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=S(=O)(N1CCCC1c1cccs1)c1ccccc1
InChi: 1S/C14H15NO2S2/c16-19(17,12-6-2-1-3-7-12)15-10-4-8-13(15)14-9-5-11-18-14/h1-3,5-7,9,11,13H,4,8,10H2
InChiKey: CFOXKOYGJCNBDS-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

Maybridge4_000926
IDI1_031508
1-(phenylsulfonyl)-2-(2-thienyl)pyrrolidine
MLS000849919
SMR000455937

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
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 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0251	0.2079	0.3519
Schistosoma mansoni	lamin	0.0033	0.0121	0.0205
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0202	0.1639	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0251	0.2079	0.274
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0124	0.0938	0.1588
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0251	0.2079	0.3519
Brugia malayi	photoreceptor-specific nuclear receptor	0.0251	0.2079	0.274
Brugia malayi	Nuclear hormone receptor E75	0.0099	0.0721	0.095
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0369	0.0487
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0251	0.2079	0.274
Echinococcus multilocularis	geminin	0.0205	0.1665	0.2818
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.0189	0.1528	0.2013
Brugia malayi	nuclear receptor NHR-67	0.0099	0.0721	0.095
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0251	0.2079	0.274
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0121	0.016
Echinococcus multilocularis	presenilin enhancer 2	0.0189	0.1528	0.2586
Onchocerca volvulus		0.0099	0.0721	0.0803
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0099	0.0721	0.1221
Echinococcus multilocularis	nicalin	0.0036	0.0153	0.0259
Trypanosoma cruzi	Aph-1 protein, putative	0.0187	0.1511	0.9136
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1187	0.1564
Brugia malayi	nuclear hormone receptor family member odr-7	0.0099	0.0721	0.095
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0202	0.1639	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0251	0.2079	0.3519
Brugia malayi	Nuclear hormone receptor-like 1	0.0151	0.1187	0.1564
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0099	0.0721	0.095
Loa Loa (eye worm)	hypothetical protein	0.0251	0.2079	0.274
Loa Loa (eye worm)	hypothetical protein	0.006	0.0369	0.0487
Schistosoma mansoni	hypothetical protein	0.0124	0.0938	0.1588
Schistosoma mansoni	zinc finger protein	0.0099	0.0721	0.1221
Brugia malayi	ecdysone receptor	0.0099	0.0721	0.095
Echinococcus multilocularis	ecdysone induced protein 78C	0.0251	0.2079	0.3519
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0202	0.1639	0.2774
Brugia malayi	steroid hormone receptor	0.0543	0.4704	0.6199
Loa Loa (eye worm)	nuclear hormone receptor	0.0099	0.0721	0.095
Brugia malayi	hypothetical protein	0.0071	0.0463	0.061
Echinococcus multilocularis	Nicastrin	0.0098	0.0711	0.1204
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0251	0.2079	0.3519
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0251	0.2079	0.274
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0202	0.1639	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0251	0.2079	0.274
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0251	0.2079	0.2622
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0121	0.016
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0196	0.1589	0.2691
Schistosoma mansoni	hypothetical protein	0.0205	0.1665	0.2818
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0251	0.2079	0.274
Echinococcus granulosus	presenilin	0.0202	0.1639	0.2774
Echinococcus multilocularis	lamin	0.0033	0.0121	0.0205
Brugia malayi	gamma-secretase subunit aph-1	0.0481	0.4144	0.5461
Schistosoma mansoni	nuclear hormone receptor	0.0251	0.2079	0.3519
Brugia malayi	ecdysteroid receptor	0.0865	0.7588	1
Schistosoma mansoni	nuclear hormone receptor	0.0099	0.0721	0.1221
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0481	0.4144	0.5461
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0364	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0177	0.1419	0.1738
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0251	0.2079	0.3519
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0151	0.1187	0.2009
Echinococcus granulosus	geminin	0.0205	0.1665	0.2818
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0251	0.2079	0.274
Loa Loa (eye worm)	steroid hormone receptor	0.0543	0.4704	0.6199
Echinococcus multilocularis	Nicastrin	0.0098	0.0711	0.1204
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0251	0.2079	0.3519
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0198	0.0261
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0251	0.2079	0.274
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0251	0.2079	0.274
Brugia malayi	Steroid receptor seven-up type 2	0.0251	0.2079	0.274
Echinococcus granulosus	FTZ F1 alpha	0.0251	0.2079	0.3519
Brugia malayi	Nuclear hormone receptor E75	0.0099	0.0721	0.095
Trypanosoma brucei	Presenilin enhancer-2 subunit of gamma secretase, putative	0.0057	0.034	0.1259
Echinococcus granulosus	nicalin	0.0036	0.0153	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0251	0.2079	0.274
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1187	0.1564
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0099	0.0721	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0116	0.0153
Echinococcus granulosus	ecdysone induced protein 78C	0.0251	0.2079	0.3519
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0121	0.0205
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0099	0.0721	0.1221
Echinococcus granulosus	thyroid hormone receptor alpha	0.0392	0.3346	0.5664
Brugia malayi	gamma-secretase subunit pen-2	0.0189	0.1528	0.2013
Echinococcus granulosus	Nicastrin	0.0098	0.0711	0.1204
Schistosoma mansoni	hypothetical protein	0.0098	0.0711	0.1204
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0364	0.0183
Echinococcus multilocularis	nuclear receptor nhr 48	0.0099	0.0721	0.1221
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0251	0.2079	0.3519
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Onchocerca volvulus		0.0251	0.2079	0.2622
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0251	0.2079	0.274
Echinococcus multilocularis	presenilin	0.0202	0.1639	0.2774
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0198	0.0261
Schistosoma mansoni	thyroid hormone receptor	0.0374	0.3188	0.5396
Brugia malayi	orphan nuclear receptor NR2E1	0.0099	0.0721	0.095
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0251	0.2079	0.3519
Echinococcus granulosus	microtubule associated protein 2	0.0678	0.5908	1
Brugia malayi	nuclear hormone receptor	0.0251	0.2079	0.274
Schistosoma mansoni	nuclear hormone receptor	0.0099	0.0721	0.1221
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0202	0.1639	1
Loa Loa (eye worm)	hypothetical protein	0.0251	0.2079	0.274
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0369	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0364	0.1936
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0121	0.016
Loa Loa (eye worm)	hypothetical protein	0.0865	0.7588	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0251	0.2079	0.3519
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0151	0.1187	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1187	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0251	0.2079	0.3519
Brugia malayi	N-terminal motif family protein	0.0177	0.1419	0.187
Brugia malayi	hypothetical protein	0.0098	0.0711	0.0937
Schistosoma mansoni	RAR-like nuclear receptor	0.0251	0.2079	0.3519
Schistosoma mansoni	retinoic acid receptor RXR	0.0348	0.2947	0.4989
Mycobacterium ulcerans	short chain dehydrogenase	0.1134	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0151	0.1187	0.2009
Brugia malayi	Nuclear hormone receptor-like 1	0.0151	0.1187	0.1564
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0364	0.0616
Brugia malayi	Presenilin-like protein At2g29900	0.0071	0.0463	0.061
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0348	0.2947	0.4989
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0251	0.2079	0.274
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Schistosoma mansoni	nuclear receptor	0.0099	0.0721	0.1221
Brugia malayi	nuclear receptor NHR-88	0.0099	0.0721	0.095
Loa Loa (eye worm)	hypothetical protein	0.0251	0.2079	0.274
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0121	0.016
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1187	0.1564
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1419	0.187
Echinococcus granulosus	intermediate filament protein	0.0033	0.0121	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0151	0.1187	0.2009
Loa Loa (eye worm)	DR-78	0.0099	0.0721	0.095
Toxoplasma gondii	hypothetical protein	0.0071	0.0463	1
Brugia malayi	nuclear receptor RXR	0.0151	0.1187	0.1564
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0251	0.2079	0.274
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0251	0.2079	0.3519
Schistosoma mansoni	hypothetical protein	0.0041	0.0198	0.0336
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0251	0.2079	0.274
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0099	0.0721	0.095
Brugia malayi	hypothetical protein	0.0098	0.0711	0.0937
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0251	0.2079	0.274
Echinococcus granulosus	presenilin enhancer 2	0.0189	0.1528	0.2586
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0099	0.0721	0.1221
Schistosoma mansoni	lamin	0.0033	0.0121	0.0205
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0251	0.2079	0.3519
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0202	0.1639	1
Schistosoma mansoni	coup transcription factor	0.0251	0.2079	0.3519
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0099	0.0721	0.1221
Brugia malayi	hypothetical protein	0.0151	0.1187	0.1564
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0374	0.3188	0.5396
Echinococcus granulosus	nuclear receptor nhr 48	0.0099	0.0721	0.1221
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0099	0.0721	0.1221
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0099	0.0721	0.1221
Brugia malayi	nuclear hormone receptor	0.0099	0.0721	0.095
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0251	0.2079	0.3519
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0711	0.0937
Onchocerca volvulus	Protein ultraspiracle homolog	0.0251	0.2079	0.2622
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0099	0.0721	0.095
Onchocerca volvulus	Bile acid receptor homolog	0.0865	0.7588	1
Onchocerca volvulus		0.0099	0.0721	0.0803
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0099	0.0721	0.095
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0099	0.0721	0.1221
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0251	0.2079	0.274
Brugia malayi	hypothetical protein	0.0099	0.0721	0.095
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0202	0.1639	1
Trypanosoma cruzi	Aph-1 protein, putative	0.0187	0.1511	0.9136
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0251	0.2079	0.274
Echinococcus multilocularis	lamin dm0	0.0033	0.0121	0.0205
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0251	0.2079	0.274
Brugia malayi	intermediate filament protein	0.0033	0.0121	0.016
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1187	0.1564
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0369	0.0487
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0251	0.2079	0.3519
Schistosoma mansoni	thyroid hormone receptor	0.0374	0.3188	0.5396
Schistosoma mansoni	microtubule-associated protein tau	0.0678	0.5908	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0251	0.2079	0.3519
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0124	0.0938	0.1588
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0251	0.2079	0.3519
Echinococcus granulosus	gamma secretase subunit aph 1	0.0481	0.4144	0.7015
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0364	0.0616
Schistosoma mansoni	nuclear receptor nhr-48	0.0099	0.0721	0.1221
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0099	0.0721	0.0803
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0099	0.0721	0.1221
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0151	0.1187	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Brugia malayi	Nuclear hormone receptor-like 1	0.0251	0.2079	0.274
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0251	0.2079	0.3519
Echinococcus multilocularis	FTZ F1 alpha	0.0251	0.2079	0.3519
Schistosoma mansoni	hypothetical protein	0.0205	0.1665	0.2818
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0251	0.2079	0.3519
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0721	0.095
Brugia malayi	hypothetical protein	0.0099	0.0721	0.095
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0202	0.1639	1
Brugia malayi	hypothetical protein	0.0151	0.1187	0.1564
Brugia malayi	Presenilin family protein	0.0202	0.1639	0.216
Loa Loa (eye worm)	hypothetical protein	0.0251	0.2079	0.274
Brugia malayi	Presenilin spe-4	0.0071	0.0463	0.061
Brugia malayi	nuclear receptor RXR	0.0099	0.0721	0.095
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0099	0.0721	0.0803
Brugia malayi	hypothetical protein	0.0071	0.0463	0.061
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0251	0.2079	0.274
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0481	0.4144	0.7015
Trypanosoma brucei	Aph-1 protein, putative	0.0187	0.1511	0.9136
Brugia malayi	conserved hypotetical protein	0.0099	0.0721	0.095
Loa Loa (eye worm)	hypothetical protein	0.0251	0.2079	0.274
Brugia malayi	Presenilin spe-4	0.0071	0.0463	0.061
Loa Loa (eye worm)	presenilin spe-4	0.0071	0.0463	0.061
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0251	0.2079	0.3519
Schistosoma mansoni	nuclear receptor	0.0099	0.0721	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0251	0.2079	0.274
Echinococcus granulosus	lamin	0.0033	0.0121	0.0205
Echinococcus granulosus	lamin dm0	0.0033	0.0121	0.0205
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0251	0.2079	0.274
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0364	0.0616
Brugia malayi	nuclear receptor NHR-88	0.0251	0.2079	0.274
Echinococcus multilocularis	musashi	0.0033	0.0121	0.0205
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0251	0.2079	0.274
Echinococcus multilocularis	microtubule associated protein 2	0.0678	0.5908	1
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0202	0.1639	1
Brugia malayi	hypothetical protein	0.0071	0.0463	0.061
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0099	0.0721	0.1221
Brugia malayi	Presenilin spe-4	0.0071	0.0463	0.061
Brugia malayi	tailless protein	0.0099	0.0721	0.095
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0481	0.4144	0.7015

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 100 uM	PUBCHEM_BIOASSAY: Dose Response concentration confirmation of uHTS hits from a small molecule activators of human intestinal alkaline phosphatase via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2524, AID2571]	ChEMBL.	No reference
IC50 (functional)	> 100 uM	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule inhibitors of human intestinal alkaline phosphatase via a luminescent assay<not set>. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2544, AID2574]	ChEMBL.	No reference
Potency (functional)	0.1458 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)	3.5481 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)	4.1475 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)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 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)	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

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1525328

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1393282