TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 431.651 | Formula: C27H45NO3
H donors: 2 H acceptors: 3 LogP: 5.4 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@@H]([C@]1(CC2)C)O)C
InChi: 1S/C27H45NO3/c1-26-14-12-20(29)17-19(26)16-18(8-6-4-3-5-7-9-24(28)31)25-21-10-11-23(30)27(21,2)15-13-22(25)26/h18-19,21-23,25,30H,3-17H2,1-2H3,(H2,28,31)/t18?,19-,21-,22-,23-,25-,26-,27-/m0/s1
InChiKey: BZLBFBAKHHAXJU-NGQOSGAJSA-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	androgen receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.0291	0.3275
Onchocerca volvulus		0.0035	0.0288	0.0288
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.3243	0.3045
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0288	0.0599
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Brugia malayi	steroid hormone receptor	0.044	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.044	1	1
Loa Loa (eye worm)	DR-78	0.0207	0.4426	0.4426
Schistosoma mansoni	nuclear receptor nhr-48	0.0207	0.4426	0.4289
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.044	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0241	0.0241
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0132	0.2616	0.2434
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.044	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0291	1
Schistosoma mansoni	hypothetical protein	0.0167	0.3467	0.3306
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.044	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0207	0.4426	0.4263
Entamoeba histolytica	hypothetical protein	0.0035	0.0285	0.9791
Onchocerca volvulus		0.0207	0.4426	0.4426
Schistosoma mansoni	thyroid hormone receptor	0.044	1	1
Onchocerca volvulus		0.0035	0.0288	0.0288
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.044	1	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0288	0.0599
Brugia malayi	Nuclear hormone receptor-like 1	0.0232	0.5023	0.5023
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0288	0.0288
Brugia malayi	Nuclear hormone receptor E75	0.0207	0.4426	0.4426
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0036	0.0036
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0288	1
Loa Loa (eye worm)	hypothetical protein	0.0132	0.2616	0.2616
Mycobacterium ulcerans	lipase LipD	0.0035	0.0288	0.3236
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.044	1	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.057	0.0337
Onchocerca volvulus		0.0047	0.057	0.057
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0889	0.0622
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.044	1	1
Echinococcus granulosus	geminin	0.0167	0.3467	0.3275
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0291	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0036	0.5
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0207	0.4426	0.4426
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0285	0.0045
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.044	1	1
Schistosoma mansoni	thyroid hormone receptor	0.044	1	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.0291	1
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Loa Loa (eye worm)	hypothetical protein	0.0232	0.5023	0.5023
Echinococcus granulosus	tumor protein p63	0.0327	0.7299	0.722
Schistosoma mansoni	zinc finger protein	0.0207	0.4426	0.4289
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0207	0.4426	0.4263
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0288	0.0599
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0291	1
Brugia malayi	nuclear receptor NHR-88	0.044	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.0291	0.0291
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0291	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0207	0.4426	0.4426
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0207	0.4426	0.4426
Schistosoma mansoni	RAR-like nuclear receptor	0.044	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0291	1
Brugia malayi	hypothetical protein	0.0035	0.0285	0.0285
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0288	0.0048
Brugia malayi	nuclear receptor NHR-88	0.0207	0.4426	0.4426
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.0291	0.0291
Brugia malayi	nuclear hormone receptor	0.0207	0.4426	0.4426
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.044	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0291	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0207	0.4426	0.4263
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.044	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0288	0.0599
Brugia malayi	nuclear receptor RXR	0.0232	0.5023	0.5023
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0288	0.0599
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.044	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.044	1	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0288	0.0599
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0207	0.4426	0.4289
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0607	0.0607
Onchocerca volvulus	Bile acid receptor homolog	0.044	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.044	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0232	0.5023	0.4877
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0291	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0207	0.4426	0.4263
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0288	0.9864
Brugia malayi	nuclear hormone receptor family member odr-7	0.0207	0.4426	0.4426
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Brugia malayi	beta-lactamase	0.0035	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Loa Loa (eye worm)	hypothetical protein	0.0232	0.5023	0.5023
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0288	0.0288
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0207	0.4426	0.4263
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0232	0.5023	0.49
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0889	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.044	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.044	1	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.0291	0.0006
Schistosoma mansoni	alpha glucosidase	0.0035	0.0291	0.0051
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.0291	1
Onchocerca volvulus		0.044	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.044	1	1
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0248	0.5411	0.5277
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0207	0.4426	0.4426
Echinococcus granulosus	ecdysone induced protein 78C	0.044	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.044	1	1
Leishmania major	hypothetical protein, conserved	0.0024	0.0036	0.0407
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0288	0.3236
Brugia malayi	ecdysone receptor	0.0207	0.4426	0.4426
Echinococcus multilocularis	geminin	0.0167	0.3467	0.3275
Schistosoma mansoni	steroid hormone receptor ad4bp	0.044	1	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.4943	0.4794
Schistosoma mansoni	hypothetical protein	0.0047	0.057	0.0337
Brugia malayi	nuclear receptor RXR	0.0207	0.4426	0.4426
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0598	0.0366
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0232	0.5023	0.4877
Entamoeba histolytica	hypothetical protein	0.0035	0.0285	0.9791
Onchocerca volvulus		0.0035	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.044	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.044	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0207	0.4426	0.4426
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0207	0.4426	0.4263
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.044	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0232	0.5023	0.5023
Brugia malayi	hypothetical protein	0.0024	0.0036	0.0036
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.044	1	1
Brugia malayi	hypothetical protein	0.0232	0.5023	0.5023
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0207	0.4426	0.4263
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0889	0.0664
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0889	1
Schistosoma mansoni	alpha-glucosidase	0.0136	0.2715	0.2535
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0598	0.0598
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.044	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0207	0.4426	0.4263
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0889	0.0664
Onchocerca volvulus		0.0091	0.1644	0.1644
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.044	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0889	0.0622
Brugia malayi	hypothetical protein	0.0229	0.4943	0.4943
Brugia malayi	Steroid receptor seven-up type 2	0.044	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.044	1	1
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0248	0.5411	0.5298
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0288	0.0599
Echinococcus granulosus	lysosomal alpha glucosidase	0.0158	0.3243	0.3045
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.0291	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.3243	0.3045
Brugia malayi	beta-lactamase family protein	0.0035	0.0288	0.0288
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.044	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0207	0.4426	0.4426
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.057	0.057
Loa Loa (eye worm)	steroid hormone receptor	0.044	1	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.0291	1
Loa Loa (eye worm)	hypothetical protein	0.0248	0.5411	0.5411
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0607	0.0607
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0207	0.4426	0.4263
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0232	0.5023	0.49
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.4806	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0288	0.0288
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0158	0.3243	0.3243
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0207	0.4426	0.4289
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0291	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.044	1	1
Echinococcus granulosus	FTZ F1 alpha	0.044	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0207	0.4426	0.4263
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0207	0.4426	0.4426
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0207	0.4426	0.4263
Trypanosoma brucei	glucosidase, putative	0.0035	0.0291	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0285	0.9791
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0288	0.0288
Brugia malayi	tailless protein	0.0207	0.4426	0.4426
Brugia malayi	conserved hypotetical protein	0.0207	0.4426	0.4426
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0607	0.0607
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0207	0.4426	0.4426
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0288	0.0048
Brugia malayi	Nuclear hormone receptor-like 1	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.0291	0.2989
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.044	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0288	0.9864
Entamoeba histolytica	hypothetical protein	0.0035	0.0285	0.9791
Toxoplasma gondii	ABC1 family protein	0.0035	0.0288	0.2949
Schistosoma mansoni	coup transcription factor	0.044	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0607	0.0607
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0889	0.185
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0241	0.0241
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0288	0.0003
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0889	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0067	0.1056	0.1056
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0288	0.3236
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Echinococcus multilocularis	tumor protein p63	0.0327	0.7299	0.722
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.044	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0207	0.4426	0.4289
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.044	1	1
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0132	0.2616	0.2616
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0288	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0207	0.4426	0.4426
Brugia malayi	photoreceptor-specific nuclear receptor	0.044	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0288	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0288	0.0599
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.044	1	1
Schistosoma mansoni	hypothetical protein	0.0167	0.3467	0.3306
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0232	0.5023	0.5023
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0248	0.5411	0.5411
Onchocerca volvulus		0.0048	0.0598	0.0598
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0288	0.0599
Echinococcus multilocularis	FTZ F1 alpha	0.044	1	1
Schistosoma mansoni	nuclear hormone receptor	0.044	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.044	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.044	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0036	0.5
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0158	0.3243	0.3243
Schistosoma mansoni	nuclear hormone receptor	0.0207	0.4426	0.4289
Brugia malayi	nuclear hormone receptor	0.044	1	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0288	0.3236
Brugia malayi	hypothetical protein	0.0207	0.4426	0.4426
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0889	1
Onchocerca volvulus		0.0207	0.4426	0.4426
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.044	1	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.0291	1
Schistosoma mansoni	nuclear receptor	0.0207	0.4426	0.4289
Brugia malayi	hypothetical protein	0.0232	0.5023	0.5023
Schistosoma mansoni	peptidylglycine monooxygenase	0.0132	0.2616	0.2434
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.0291	0.0006
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0248	0.5411	0.5277
Brugia malayi	hypothetical protein	0.0207	0.4426	0.4426
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0889	1
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0065	0.1009	0.1009
Onchocerca volvulus	Protein ultraspiracle homolog	0.044	1	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0288	0.3236
Schistosoma mansoni	alpha-glucosidase	0.0136	0.2715	0.2535
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0288	0.3236
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.4943	0.4943
Loa Loa (eye worm)	hypothetical protein	0.044	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0288	0.0288
Brugia malayi	Nuclear hormone receptor E75	0.0207	0.4426	0.4426
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0288	0.0288
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0288	0.9864
Loa Loa (eye worm)	hypothetical protein	0.0232	0.5023	0.5023
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0207	0.4426	0.4263
Brugia malayi	nuclear receptor NHR-67	0.0207	0.4426	0.4426
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.044	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.044	1	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0288	1
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.4943	0.4794
Brugia malayi	Nuclear hormone receptor-like 1	0.0232	0.5023	0.5023
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0288	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0232	0.5023	0.5023
Schistosoma mansoni	hypothetical protein	0.0035	0.0285	0.0045
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.044	1	1
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0288	0.0599
Echinococcus multilocularis	thyroid hormone receptor alpha	0.044	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.044	1	1
Schistosoma mansoni	nuclear receptor	0.0207	0.4426	0.4289
Brugia malayi	beta-lactamase family protein	0.0035	0.0288	0.0288

Activities

Activity type	Activity value	Assay description	Source	Reference
FI5 (functional)	= 2400 nM	Agonist activity at androgen receptor expressed in HeLa cells assessed as effect on dihydrotestosterone-induced transcriptional activity by reporter gene assay	ChEMBL.	17064916
FI5 (functional)	= 2400 nM	Agonist activity at androgen receptor expressed in HeLa cells assessed as effect on dihydrotestosterone-induced transcriptional activity by reporter gene assay	ChEMBL.	17064916
IC50 (binding)	= 260 nM	Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells	ChEMBL.	17064916
IC50 (binding)	= 260 nM	Displacement of [3H]mibolerone from androgen receptor expressed in CHOK1 cells	ChEMBL.	17064916
IC50 (functional)	= 450 nM	Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by reporter gene assay	ChEMBL.	17064916
IC50 (functional)	= 450 nM	Antagonist activity at androgen receptor expressed in HeLa cells assessed as inhibition of dihydrotestosterone-induced transcriptional activity by reporter gene assay	ChEMBL.	17064916

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: CHEMBL224733

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 420906