TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 380.563 | Formula: C26H36O2
H donors: 1 H acceptors: 2 LogP: 8.67 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C/C(=C\C(=O)O)/C=C/C1(CCCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
InChi: 1S/C26H36O2/c1-18(15-23(27)28)9-12-26(10-7-8-11-26)20-17-22-21(16-19(20)2)24(3,4)13-14-25(22,5)6/h9,12,15-17H,7-8,10-11,13-14H2,1-6H3,(H,27,28)/b12-9+,18-15+
InChiKey: NSUMJVKYPHTODI-FPIZNTTDSA-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	retinoic acid receptor, beta	Starlite/ChEMBL	No references
Homo sapiens	retinoid X receptor, beta	Starlite/ChEMBL	No references
Homo sapiens	retinoic acid receptor, gamma	Starlite/ChEMBL	No references
Homo sapiens	retinoid X receptor, alpha	Starlite/ChEMBL	No references
Homo sapiens	retinoid X receptor, gamma	Starlite/ChEMBL	No references
Homo sapiens	retinoic acid receptor, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	Get druggable targets OG5_130073	All targets in OG5_130073
Brugia malayi	nuclear hormone receptor	Get druggable targets OG5_131607	All targets in OG5_131607
Schistosoma mansoni	retinoic acid receptor RXR	Get druggable targets OG5_130073	All targets in OG5_130073
Schistosoma japonicum	ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative	Get druggable targets OG5_130073	All targets in OG5_130073
Echinococcus granulosus	retinoic acid receptor rxr beta a	Get druggable targets OG5_130073	All targets in OG5_130073
Loa Loa (eye worm)	nuclear receptor nhr-7B	Get druggable targets OG5_131607	All targets in OG5_131607
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	Get druggable targets OG5_131607	All targets in OG5_131607
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131607	All targets in OG5_131607

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	ecdysteroid receptor	retinoid X receptor, alpha	435 aa	352 aa	23.9 %
Brugia malayi	ecdysteroid receptor	retinoid X receptor, gamma	340 aa	338 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.007	0.0413	0.0433
Toxoplasma gondii	DNA gyrase/topoisomerase IV, A subunit domain-containing protein	0.0683	0.8055	1
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	0.0066	0.0358	0.0671
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0137	0.1251	0.1553
Schistosoma mansoni	DNA topoisomerase II	0.0466	0.5341	0.9125
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0444	0.507	0.6295
Brugia malayi	nuclear receptor NHR-88	0.007	0.0413	0.0433
Mycobacterium tuberculosis	Probable oxidoreductase	0.0137	0.1251	0.1553
Onchocerca volvulus	Protein ultraspiracle homolog	0.007	0.0413	0.0255
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.129	0.2204
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0249	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1934	0.2027
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0053	0.0099
Brugia malayi	Nuclear hormone receptor-like 1	0.007	0.0413	0.0433
Leishmania major	trypanothione reductase	0.0107	0.0872	0.1428
Toxoplasma gondii	DNA topoisomerase family protein	0.005	0.0162	0.0201
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.037	0.415	0.4054
Loa Loa (eye worm)	dihydrofolate reductase	0.0042	0.0068	0.0071
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.011	0.0912	0.1132
Giardia lamblia	DNA topoisomerase III	0.005	0.0162	0.0322
Echinococcus multilocularis	thyroid hormone receptor alpha	0.007	0.0413	0.0765
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0147	0.1366	0.1696
Plasmodium falciparum	DNA topoisomerase 2	0.0466	0.5341	0.6631
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0053	0.0066
Toxoplasma gondii	thioredoxin reductase	0.0107	0.0872	0.1082
Echinococcus granulosus	ecdysone induced protein 78C	0.007	0.0413	0.0705
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0249	0.0425
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0147	0.1366	0.1696
Echinococcus granulosus	thioredoxin glutathione reductase	0.0107	0.0872	0.1489
Onchocerca volvulus	Bile acid receptor homolog	0.007	0.0413	0.0255
Brugia malayi	Dihydrofolate reductase	0.0042	0.0068	0.0071
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.007	0.0413	0.0705
Leishmania major	DNA topoisomerase III, putative	0.005	0.0162	0.0265
Loa Loa (eye worm)	thioredoxin reductase	0.0107	0.0872	0.0914
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.005	0.0162	0.0302
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0272	0.0504
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.007	0.0413	0.0705
Mycobacterium leprae	Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0296	0.3221	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0091	0.0677	0.1157
Entamoeba histolytica	DNA topoisomerase III, putative	0.005	0.0162	0.0284
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0527	0.6102	1
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.005	0.0162	0.0276
Loa Loa (eye worm)	hypothetical protein	0.007	0.0413	0.0433
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.005	0.0162	0.0265
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0272	0.0465
Plasmodium vivax	DNA gyrase subunit A, putative	0.0683	0.8055	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.007	0.0413	0.0765
Leishmania major	DNA topoisomerase III, putative	0.005	0.0162	0.0265
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0053	0.0099
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.005	0.0162	0.0302
Trypanosoma brucei	DNA topoisomerase III, putative	0.005	0.0162	0.0265
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0416	0.4717	0.7732
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0053	0.0091
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.007	0.0413	0.0433
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0107	0.0872	0.1082
Loa Loa (eye worm)	hypothetical protein	0.0059	0.027	0.0283
Leishmania major	DNA topoisomerase ii	0.0416	0.4717	0.7732
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.007	0.0413	0.0433
Trypanosoma cruzi	DNA topoisomerase III, putative	0.005	0.0162	0.0265
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0042	0.0068	0.0084
Trichomonas vaginalis	set domain proteins, putative	0.023	0.2401	0.4496
Brugia malayi	nuclear hormone receptor	0.007	0.0413	0.0433
Brugia malayi	photoreceptor-specific nuclear receptor	0.007	0.0413	0.0433
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.011	0.0912	0.1132
Schistosoma mansoni	dihydrofolate reductase	0.0042	0.0068	0.0115
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.005	0.0162	0.03
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0444	0.507	0.6295
Schistosoma mansoni	retinoic acid receptor RXR	0.0507	0.5853	1
Brugia malayi	DNA topoisomerase III	0.005	0.0162	0.0169
Brugia malayi	Thioredoxin reductase	0.0107	0.0872	0.0914
Plasmodium falciparum	DNA gyrase subunit A	0.0683	0.8055	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0272	0.0337
Entamoeba histolytica	DNA topoisomerase II, putative	0.0466	0.5341	1
Loa Loa (eye worm)	thymidylate synthase	0.0104	0.0837	0.0877
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0147	0.1366	0.1696
Echinococcus multilocularis	caax prenyl protease 1	0.0066	0.0358	0.0665
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.001	0.002
Loa Loa (eye worm)	hypothetical protein	0.007	0.0413	0.0433
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.007	0.0413	0.0433
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.047	0.5391	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.1241	0.212
Brugia malayi	hypothetical protein	0.0118	0.1009	0.1058
Chlamydia trachomatis	DNA topoisomerase I	0.005	0.0162	0.0201
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0137	0.1251	0.3754
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.037	0.415	0.4054
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0147	0.1366	0.2239
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.129	0.1352
Plasmodium falciparum	glutathione reductase	0.0107	0.0872	0.1082
Plasmodium vivax	DNA gyrase subunit B, putative	0.0444	0.507	0.6295
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.005	0.0162	0.0169
Plasmodium falciparum	DNA topoisomerase 3, putative	0.005	0.0162	0.0201
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.005	0.0162	0.0265
Echinococcus multilocularis	rho GTPase activating protein 20	0.005	0.0162	0.03
Brugia malayi	GRF zinc finger family protein	0.005	0.0162	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0677	0.071
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.007	0.0413	0.0765
Echinococcus multilocularis	lysine specific demethylase 5A	0.0057	0.0249	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0282	0.3054	0.3202
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0527	0.6102	1
Chlamydia trachomatis	DNA gyrase subunit A	0.0128	0.1131	0.1403
Schistosoma mansoni	thyroid hormone receptor	0.007	0.0413	0.0705
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.007	0.0413	0.0433
Echinococcus granulosus	geminin	0.0164	0.1586	0.271
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0444	0.507	0.6295
Mycobacterium tuberculosis	Hypothetical protein	0.005	0.0156	0.0193
Schistosoma mansoni	thyroid hormone receptor	0.007	0.0413	0.0705
Brugia malayi	nuclear hormone receptor	0.0802	0.9538	1
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.005	0.0162	0.0276
Trypanosoma cruzi	DNA topoisomerase III, putative	0.005	0.0162	0.0265
Mycobacterium ulcerans	DNA topoisomerase I	0.005	0.0162	0.0201
Onchocerca volvulus		0.0085	0.0603	0.0448
Brugia malayi	Pre-SET motif family protein	0.0202	0.2054	0.2153
Brugia malayi	jmjC domain containing protein	0.0057	0.0249	0.0261
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.007	0.0413	0.0705
Trypanosoma brucei	metallo- peptidase, Clan M- Family M48	0.0066	0.0358	0.0587
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0057	0.0249	0.0425
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.011	0.0912	0.1132
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.007	0.0413	0.0433
Giardia lamblia	DNA topoisomerase II	0.044	0.5019	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0053	0.0066
Echinococcus granulosus	dihydrofolate reductase	0.0042	0.0068	0.0115
Brugia malayi	Probable DNA topoisomerase II	0.0466	0.5341	0.56
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0059	0.0278	0.0292
Entamoeba histolytica	CAAX prenyl protease, putative	0.0066	0.0358	0.0653
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.007	0.0413	0.0705
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.005	0.0162	0.0201
Loa Loa (eye worm)	hypothetical protein	0.007	0.0413	0.0433
Loa Loa (eye worm)	jmjC domain-containing protein	0.0057	0.0249	0.0261
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0272	0.0465
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.2054	0.2153
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.007	0.0413	0.0433
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0466	0.5341	0.9907
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.001	0.0013
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.007	0.0413	0.0433
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.007	0.0413	0.0433
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0416	0.4717	0.7732
Brugia malayi	thymidylate synthase	0.0104	0.0837	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0059	0.027	0.0283
Chlamydia trachomatis	dihydrofolate reductase	0.0042	0.0068	0.0084
Mycobacterium tuberculosis	Probable reductase	0.011	0.0912	0.1132
Loa Loa (eye worm)	steroid hormone receptor	0.007	0.0413	0.0433
Toxoplasma gondii	CAAX metallo endopeptidase	0.0066	0.0358	0.0445
Schistosoma mansoni	hypothetical protein	0.0164	0.1586	0.271
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.005	0.0162	0.0201
Schistosoma mansoni	RAR-like nuclear receptor	0.007	0.0413	0.0705
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.007	0.0413	0.0433
Brugia malayi	hypothetical protein	0.005	0.0156	0.0163
Loa Loa (eye worm)	TOPoisomerase family member	0.0466	0.5341	0.56
Mycobacterium ulcerans	thymidylate synthase	0.0104	0.0837	0.1039
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.007	0.0413	0.0433
Trypanosoma cruzi	CAAX prenyl protease 1, putative	0.0066	0.0358	0.0587
Brugia malayi	jmjC domain containing protein	0.0057	0.0249	0.0261
Schistosoma mansoni	steroid hormone receptor ad4bp	0.007	0.0413	0.0705
Onchocerca volvulus		0.007	0.0413	0.0255
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0137	0.1251	0.1553
Treponema pallidum	DNA gyrase, subunit A (gyrA)	0.0683	0.8055	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.0413	0.0433
Chlamydia trachomatis	DNA gyrase subunit B	0.0444	0.507	0.6295
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0147	0.1366	0.2239
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.007	0.0413	0.0705
Brugia malayi	steroid hormone receptor	0.007	0.0413	0.0433
Mycobacterium ulcerans	DNA gyrase subunit A	0.0683	0.8055	1
Loa Loa (eye worm)	peptidase family M48 containing protein	0.0066	0.0358	0.0376
Plasmodium falciparum	DNA gyrase subunit B	0.0444	0.507	0.6295
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.007	0.0413	0.0705
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0147	0.1366	0.2239
Echinococcus multilocularis	dihydrofolate reductase	0.0042	0.0068	0.0125
Brugia malayi	Steroid receptor seven-up type 2	0.007	0.0413	0.0433
Leishmania major	CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48	0.0066	0.0358	0.0587
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0303	0.3318	0.4119
Echinococcus multilocularis	thymidylate synthase	0.0104	0.0837	0.1552
Echinococcus granulosus	FTZ F1 alpha	0.007	0.0413	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0308	0.3373	0.3536
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0416	0.4717	0.7732
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.011	0.0912	0.2677
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.007	0.0413	0.0765
Onchocerca volvulus		0.023	0.2401	0.2276
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0466	0.5341	0.56
Trypanosoma cruzi	metallo- peptidase, Clan M- Family M48	0.0066	0.0358	0.0587
Loa Loa (eye worm)	hypothetical protein	0.007	0.0413	0.0433
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0042	0.0068	0.0084
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0037	0.0000080214	0.00000841
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.005	0.0162	0.0276
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.005	0.0162	0.0276
Loa Loa (eye worm)	DNA topoisomerase III	0.005	0.0162	0.0169
Echinococcus granulosus	lysine specific demethylase 5A	0.0057	0.0249	0.0425
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.0278	0.0345
Mycobacterium tuberculosis	Probable dehydrogenase	0.011	0.0912	0.1132
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0104	0.0837	0.143
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.007	0.0413	0.0433
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0104	0.0837	0.2439
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.0278	0.0345
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0272	0.0337
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0107	0.0872	0.1617
Chlamydia trachomatis	DNA gyrase subunit B	0.0383	0.431	0.5351
Echinococcus multilocularis	FTZ F1 alpha	0.007	0.0413	0.0765
Plasmodium vivax	DNA topoisomerase 3, putative	0.005	0.0162	0.0201
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.007	0.0413	0.0705
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.012	0.1031	0.3054
Echinococcus multilocularis	ecdysone induced protein 78C	0.007	0.0413	0.0765
Plasmodium vivax	glutathione reductase, putative	0.0107	0.0872	0.1082
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0466	0.5341	0.56
Trypanosoma cruzi	DNA topoisomerase III, putative	0.005	0.0162	0.0265
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.007	0.0413	0.0433
Brugia malayi	ecdysteroid receptor	0.007	0.0413	0.0433
Brugia malayi	Trypsin family protein	0.0091	0.0677	0.071
Echinococcus granulosus	caax prenyl protease 1	0.0066	0.0358	0.0612
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0416	0.4717	0.7732
Schistosoma mansoni	coup transcription factor	0.007	0.0413	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0282	0.3054	0.3202
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0466	0.5341	0.6631
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.007	0.0413	0.0765
Schistosoma mansoni	nuclear hormone receptor	0.007	0.0413	0.0705
Loa Loa (eye worm)	acetyltransferase	0.0141	0.129	0.1352
Plasmodium vivax	DNA topoisomerase II, putative	0.0466	0.5341	0.6631
Trypanosoma brucei	DNA topoisomerase III, putative	0.005	0.0162	0.0265
Trypanosoma brucei	DNA topoisomerase IA, putative	0.005	0.0162	0.0265
Brugia malayi	DNA topoisomerase III beta-1	0.005	0.0162	0.0169
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.007	0.0413	0.0433
Brugia malayi	dihydrofolate reductase family protein	0.0042	0.0068	0.0071
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.007	0.0413	0.0765
Schistosoma mansoni	hypothetical protein	0.0164	0.1586	0.271
Onchocerca volvulus		0.0091	0.0677	0.0524
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0104	0.0837	0.1039
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.007	0.0413	0.0433
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.007	0.0413	0.0705
Brugia malayi	Peptidase family M48 containing protein	0.0066	0.0358	0.0376
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0091	0.0677	0.1157
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0507	0.5853	1
Schistosoma mansoni	farnesylated-protein converting enzyme 1 (M48 family)	0.0066	0.0358	0.0612
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.129	0.2393
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0272	0.0465
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.0278	0.0475
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0272	0.0337
Leishmania major	DNA topoisomerase 1A	0.005	0.0162	0.0265
Chlamydia trachomatis	DNA gyrase subunit A	0.0683	0.8055	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.027	0.0283
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.007	0.0413	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0677	0.071
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.007	0.0413	0.0705
Mycobacterium tuberculosis	DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0683	0.8055	1
Treponema pallidum	DNA topoisomerase I (topA)	0.005	0.0162	0.0201
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.037	0.415	0.4054
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.011	0.0912	0.1132
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.0185	0.0194
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0057	0.0249	0.0462
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.005	0.0162	0.0298
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.007	0.0413	0.0433
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0156	0.0292
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.007	0.0413	0.0765
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.005	0.0156	0.0255
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0053	0.0066
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0059	0.0278	0.0345
Brugia malayi	glutathione reductase	0.0107	0.0872	0.0914
Mycobacterium ulcerans	DNA gyrase subunit B	0.0444	0.507	0.6295
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.007	0.0413	0.0433
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.007	0.0413	0.0433
Trypanosoma brucei	trypanothione reductase	0.0107	0.0872	0.1428
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.007	0.0413	0.0433
Loa Loa (eye worm)	hypothetical protein	0.0769	0.9125	0.9567
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	0.0066	0.0358	0.0671
Plasmodium falciparum	thioredoxin reductase	0.0107	0.0872	0.1082
Loa Loa (eye worm)	hypothetical protein	0.007	0.0413	0.0433
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.007	0.0413	0.0705
Echinococcus multilocularis	geminin	0.0164	0.1586	0.2942
Loa Loa (eye worm)	glutathione reductase	0.0107	0.0872	0.0914
Giardia lamblia	DNA topoisomerase III	0.005	0.0162	0.0322
Wolbachia endosymbiont of Brugia malayi	DNA gyrase subunit A	0.0683	0.8055	1
Trypanosoma brucei	DNA topoisomerase ii	0.0527	0.6102	1
Echinococcus granulosus	thymidylate synthase	0.0104	0.0837	0.143
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1934	0.2027
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0272	0.0445
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0272	0.0337
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0272	0.0337
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.007	0.0413	0.0433
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0466	0.5341	0.9125
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0059	0.0278	0.0456
Leishmania major	mitochondrial DNA topoisomerase II	0.0527	0.6102	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.007	0.0413	0.0705
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0466	0.5341	1
Entamoeba histolytica	DNA topoisomerase III, putative	0.005	0.0162	0.0284
Onchocerca volvulus		0.0104	0.0837	0.0686
Plasmodium vivax	thioredoxin reductase, putative	0.0107	0.0872	0.1082
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0802	0.9538	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0107	0.0872	0.1428
Loa Loa (eye worm)	hypothetical protein	0.007	0.0413	0.0433
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0059	0.0278	0.0475
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.0278	0.0516
Loa Loa (eye worm)	hypothetical protein	0.007	0.0413	0.0433
Schistosoma mansoni	jumonji domain containing protein	0.0057	0.0249	0.0425

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	nM	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR alpha; not active	ChEMBL.	No reference
EC50 (functional)	0 nM	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR alpha; not active	ChEMBL.	No reference
EC50 (functional)	= 809 nM	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR beta	ChEMBL.	No reference
EC50 (functional)	= 809 nM	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR beta	ChEMBL.	No reference
EC50 (functional)	= 1779 nM	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gamma	ChEMBL.	No reference
EC50 (functional)	= 1779 nM	Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gamma	ChEMBL.	No reference
EC50 (functional)	= 2000 nM	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta	ChEMBL.	No reference
EC50 (functional)	= 2000 nM	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta	ChEMBL.	No reference
EC50 (functional)	= 2520 nM	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha	ChEMBL.	No reference
EC50 (functional)	= 2520 nM	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha	ChEMBL.	No reference
EC50 (functional)	= 2714 nM	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma	ChEMBL.	No reference
EC50 (functional)	= 2714 nM	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma	ChEMBL.	No reference
Efficacy (functional)	= 0 %	Maximal transcriptional activation in CV-1 cells expressing RAR alpha receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 0 %	Maximal transcriptional activation in CV-1 cells expressing RAR beta receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 0 %	Maximal transcriptional activation in CV-1 cells expressing RAR alpha receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 0 %	Maximal transcriptional activation in CV-1 cells expressing RAR beta receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 3 %	Maximal transcriptional activation in CV-1 cells expressing RAR gamma receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 3 %	Maximal transcriptional activation in CV-1 cells expressing RAR gamma receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 51 %	Maximal transcriptional activation in CV-1 cells expressing RXR beta receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 51 %	Maximal transcriptional activation in CV-1 cells expressing RXR beta receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 57 %	Maximal transcriptional activation in CV-1 cells expressing RXR gamma receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 57 %	Maximal transcriptional activation in CV-1 cells expressing RXR gamma receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 65 %	Maximal transcriptional activation in CV-1 cells expressing RXR alpha receptor relative to ATRA	ChEMBL.	No reference
Efficacy (functional)	= 65 %	Maximal transcriptional activation in CV-1 cells expressing RXR alpha receptor relative to ATRA	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-ATRA binding to RAR alpha receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-ATRA binding to RAR beta receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-ATRA bindng to RAR gamma receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-9-cis-RA binding to RXR alpha receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-9-cis-RA binding to RXR beta receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-9-cis-RA binding to RXR gamma receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-ATRA binding to RAR alpha receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-ATRA binding to RAR beta receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-ATRA bindng to RAR gamma receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-9-cis-RA binding to RXR alpha receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-9-cis-RA binding to RXR beta receptor	ChEMBL.	No reference
Ki (binding)	> 1000 nM	Inhibition of [3H]-9-cis-RA binding to RXR gamma receptor	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: CHEMBL92394

Bibliographic References

No literature references available for this target.

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Detailed information for compound 153870