TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.48 | Formula: C26H24N2O3
H donors: 1 H acceptors: 3 LogP: 4.63 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N(c1ccccc1)c1ccccc1)N1CCC(=Cc2ccc(cc2)C(=O)O)CC1
InChi: 1S/C26H24N2O3/c29-25(30)22-13-11-20(12-14-22)19-21-15-17-27(18-16-21)26(31)28(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,19H,15-18H2,(H,29,30)
InChiKey: TUMUOMINWLBKJC-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	steroid-5-alpha-reductase, alpha polypeptide 2 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 2)	Starlite/ChEMBL	References
Rattus norvegicus	Steroid 5-alpha-reductase 1	Starlite/ChEMBL	References
Rattus norvegicus	Steroid 5-alpha-reductase 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	steroid 5-alpha reductase, putative	Get druggable targets OG5_128852	All targets in OG5_128852
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128852	All targets in OG5_128852
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	Get druggable targets OG5_128852	All targets in OG5_128852
Leishmania donovani	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	Get druggable targets OG5_128852	All targets in OG5_128852
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Get druggable targets OG5_128852	All targets in OG5_128852
Mycobacterium ulcerans	hypothetical protein	Get druggable targets OG5_128852	All targets in OG5_128852
Trypanosoma brucei gambiense	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	Get druggable targets OG5_128852	All targets in OG5_128852
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Get druggable targets OG5_128852	All targets in OG5_128852
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	Get druggable targets OG5_128852	All targets in OG5_128852
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Get druggable targets OG5_128852	All targets in OG5_128852
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	Get druggable targets OG5_128852	All targets in OG5_128852
Leishmania infantum	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	Get druggable targets OG5_128852	All targets in OG5_128852
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Get druggable targets OG5_128852	All targets in OG5_128852
Leishmania mexicana	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	Get druggable targets OG5_128852	All targets in OG5_128852
Leishmania braziliensis	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	Get druggable targets OG5_128852	All targets in OG5_128852
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	Get druggable targets OG5_128852	All targets in OG5_128852
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Get druggable targets OG5_128852	All targets in OG5_128852

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Cryptosporidium parvum	steroid reductase like intregral membrane protein with 4x transmembrane domains and an ubiquitin domain at its N-terminus	Steroid 5-alpha-reductase 1	259 aa	236 aa	25.4 %
Cryptosporidium hominis	hypothetical protein	Steroid 5-alpha-reductase 1	259 aa	236 aa	25.4 %
Plasmodium knowlesi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Steroid 5-alpha-reductase 1	259 aa	225 aa	28.4 %
Babesia bovis	3-oxo-5-alpha-steroid 4-dehydrogenase family protein	Steroid 5-alpha-reductase 1	259 aa	228 aa	25.4 %
Plasmodium berghei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Steroid 5-alpha-reductase 1	259 aa	225 aa	28.0 %
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Steroid 5-alpha-reductase 2	254 aa	211 aa	29.9 %
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	Steroid 5-alpha-reductase 1	259 aa	241 aa	26.6 %
Trichomonas vaginalis	conserved hypothetical protein	Steroid 5-alpha-reductase 2	254 aa	238 aa	25.6 %
Trichomonas vaginalis	conserved hypothetical protein	Steroid 5-alpha-reductase 1	259 aa	232 aa	26.3 %
Trypanosoma congolense	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Steroid 5-alpha-reductase 1	259 aa	228 aa	25.9 %
Brugia malayi	Synaptic glycoprotein SC2	steroid-5-alpha-reductase, alpha polypeptide 2 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 2)	254 aa	208 aa	28.9 %
Leishmania mexicana	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Steroid 5-alpha-reductase 1	259 aa	226 aa	23.5 %
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	Steroid 5-alpha-reductase 1	259 aa	225 aa	28.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	Sterile alpha motif SAM	0.0027	0.0051	0.003
Schistosoma mansoni	jumonji domain containing protein	0.0028	0.0053	0.0016
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.008	0.062	0.0585
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0035	0.0136	0.0137
Brugia malayi	hypothetical protein	0.0027	0.0051	0.0023
Plasmodium vivax	JmjC domain containing protein	0.0032	0.0097	0.0808
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.0756	0.1274
Echinococcus multilocularis	lamin	0.0026	0.0037	0.0007
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0124	0.1109	0.1804
Brugia malayi	CHD4 protein	0.0029	0.0072	0.006
Brugia malayi	hypothetical protein	0.0027	0.0051	0.0023
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0108	0.0098
Entamoeba histolytica	hypothetical protein	0.0035	0.013	0.0219
Echinococcus multilocularis	polyhomeotic proximal chromatin protein	0.0027	0.0051	0.003
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.008	0.062	0.0968
Trichomonas vaginalis	glutaminase, putative	0.0298	0.3005	0.5023
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.008	0.062	0.0968
Echinococcus granulosus	GPCR family 2	0.0048	0.0273	0.0396
Mycobacterium ulcerans	hypothetical protein	0.0566	0.5931	1
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.008	0.062	0.0968
Brugia malayi	mbt repeat family protein	0.0301	0.3042	0.5097
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0032	0.0053
Echinococcus granulosus	synaptic glycoprotein sc2	0.008	0.062	0.0978
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.008	0.062	0.0968
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0566	0.5931	1
Trypanosoma brucei	pyruvate kinase 1	0.0033	0.0108	0.0098
Echinococcus multilocularis	polyhomeotic protein 2	0.0027	0.0051	0.003
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0756	0.1212
Echinococcus granulosus	histone acetyltransferase MYST2	0.0104	0.0891	0.1433
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.008	0.062	0.0978
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.0488	0.0823
Schistosoma mansoni	hypothetical protein	0.0048	0.0273	0.0237
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0566	0.5931	1
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0108	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0085
Brugia malayi	jmjC domain containing protein	0.0028	0.0053	0.0027
Echinococcus granulosus	geminin	0.0181	0.1727	0.2836
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.008	0.062	0.1045
Schistosoma mansoni	pyruvate kinase	0.0033	0.0108	0.0072
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0029	0.0072	0.0066
Onchocerca volvulus		0.0027	0.0051	0.0026
Loa Loa (eye worm)	RNA binding protein	0.0068	0.0488	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0085
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0033	0.0108	0.5
Echinococcus granulosus	tar DNA binding protein	0.0068	0.0488	0.0757
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0566	0.5931	1
Schistosoma mansoni	hypothetical protein	0.0048	0.0273	0.0237
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.008	0.062	1
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.0488	0.0765
Entamoeba histolytica	hypothetical protein	0.0035	0.013	0.0219
Echinococcus granulosus	chromobox protein 2	0.0215	0.2096	0.3455
Brugia malayi	Synaptic glycoprotein SC2	0.008	0.062	0.0989
Brugia malayi	hypothetical protein	0.0035	0.013	0.0158
Schistosoma mansoni	hypothetical protein	0.0035	0.013	0.0093
Loa Loa (eye worm)	glutaminase	0.0298	0.3005	0.5066
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.0756	0.1212
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0033	0.0108	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1114	0.1878
Echinococcus granulosus	polyhomeotic proximal chromatin protein	0.0027	0.0051	0.0023
Onchocerca volvulus		0.008	0.062	0.1131
Schistosoma mansoni	hypothetical protein	0.0181	0.1727	0.1696
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0101	0.0858	0.0824
Brugia malayi	cask-interacting protein 2	0.0027	0.0051	0.0023
Echinococcus multilocularis	histone acetyltransferase myst3	0.0044	0.0235	0.0339
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.062	0.0968
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0108	0.0138
Entamoeba histolytica	hypothetical protein	0.0035	0.013	0.0219
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0756	0.1206
Plasmodium vivax	polyprenol reductase, putative	0.008	0.062	1
Echinococcus multilocularis	synaptic glycoprotein sc2	0.008	0.062	0.0984
Brugia malayi	Shank2E	0.0027	0.0051	0.0023
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0566	0.5931	1
Loa Loa (eye worm)	hypothetical protein	0.0498	0.5191	0.8753
Plasmodium falciparum	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.008	0.062	1
Brugia malayi	sterile alpha and TIR motif containing protein 1 isoform a	0.0027	0.0051	0.0023
Schistosoma mansoni	spingomyelin synthetase-related	0.0027	0.0051	0.0014
Giardia lamblia	Pyruvate kinase	0.0033	0.0108	0.1013
Brugia malayi	hypothetical protein	0.0125	0.1114	0.1828
Echinococcus granulosus	liprin alpha 2	0.0027	0.0051	0.0023
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.013	0.0156
Schistosoma mansoni	hypothetical protein	0.0027	0.0051	0.0014
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0273	0.0396
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.008	0.062	0.0961
Brugia malayi	Sphingomyelin synthase-related 1	0.0027	0.0051	0.0023
Schistosoma mansoni	sex comb on midleg homolog	0.029	0.2913	0.2887
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.013	0.0093
Schistosoma mansoni	Protein aveugle	0.0027	0.0051	0.0014
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0756	0.0721
Echinococcus granulosus	Sterile alpha motif SAM	0.0027	0.0051	0.0023
Brugia malayi	Liprin-alpha 2	0.0027	0.0051	0.0023
Onchocerca volvulus		0.0027	0.0051	0.0026
Onchocerca volvulus	Huntingtin homolog	0.0125	0.1114	0.209
Echinococcus granulosus	lysine specific demethylase 5A	0.0101	0.0858	0.1378
Loa Loa (eye worm)	jmjC domain-containing protein	0.0149	0.1381	0.2328
Echinococcus multilocularis	sphingomyelin synthase protein 1	0.0027	0.0051	0.003
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.013	0.0163
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0124	0.1109	0.1798
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0101	0.0858	0.0824
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0108	0.0098
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0037	0.0062
Brugia malayi	RNA binding protein	0.0068	0.0488	0.0765
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1114	0.1878
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0498	0.5191	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0273	0.0402
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0108	0.0138
Brugia malayi	glutaminase DH11.1	0.0298	0.3005	0.5035
Brugia malayi	coiled-coil like protein 1	0.0027	0.0051	0.0023
Echinococcus granulosus	sphingomyelin synthase protein 1	0.0027	0.0051	0.0023
Plasmodium falciparum	polyprenol reductase, putative	0.008	0.062	1
Trichomonas vaginalis	conserved hypothetical protein	0.008	0.062	0.0968
Schistosoma mansoni	chromobox protein	0.0215	0.2096	0.2067
Plasmodium falciparum	pyruvate kinase	0.0033	0.0108	0.0223
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0108	0.0183
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0273	0.0396
Schistosoma mansoni	hypothetical protein	0.0048	0.0273	0.0237
Schistosoma mansoni	hypothetical protein	0.0103	0.0879	0.0845
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0756	0.0721
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0037	0.0062
Loa Loa (eye worm)	CHromoDomain protein family member	0.0029	0.0072	0.0122
Schistosoma mansoni	phd finger protein	0.0044	0.0235	0.0199
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.008	0.062	0.0585
Echinococcus granulosus	liprin alpha 2	0.0027	0.0051	0.0023
Schistosoma mansoni	lar interacting protein (lip)-related protein	0.0027	0.0051	0.0014
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.0488	0.0823
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0085
Echinococcus multilocularis	lysine specific demethylase 5A	0.0085	0.0673	0.1074
Trichomonas vaginalis	pyruvate kinase, putative	0.0033	0.0108	0.0098
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0488	0.0453
Loa Loa (eye worm)	glutaminase 2	0.0298	0.3005	0.5066
Echinococcus multilocularis	geminin	0.0181	0.1727	0.2841
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.0756	0.1206
Echinococcus granulosus	sterile alpha and tir motif containing protein	0.0027	0.0051	0.0023
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0029	0.0072	0.0059
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.008	0.062	0.1045
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.0488	0.0763
Toxoplasma gondii	pyruvate kinase PyK1	0.0033	0.0108	0.0091
Loa Loa (eye worm)	toll and interleukin 1 receptor domain-containing protein isoform f	0.0027	0.0051	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0085
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.0756	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0879	0.1482
Echinococcus multilocularis	Sterile alpha motif type	0.0027	0.0051	0.003
Schistosoma mansoni	Protein aveugle	0.0027	0.0051	0.0014
Onchocerca volvulus		0.0027	0.0051	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0037	0.0062
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0273	0.04
Brugia malayi	TAR-binding protein	0.0068	0.0488	0.0765
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.008	0.062	0.0961
Echinococcus granulosus	polycomb protein SCMH1	0.029	0.2913	0.4826
Echinococcus granulosus	polyhomeotic protein 2	0.0027	0.0051	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0566	0.5931	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0273	0.046
Toxoplasma gondii	PLU-1 family protein	0.0048	0.0273	0.0372
Schistosoma mansoni	pyruvate kinase	0.0033	0.0108	0.0072
Schistosoma mansoni	hypothetical protein	0.0048	0.0273	0.0237
Echinococcus granulosus	pyruvate kinase	0.0033	0.0108	0.012
Loa Loa (eye worm)	tnks protein	0.0027	0.0051	0.0085
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0104	0.0891	0.1439
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0488	0.0453
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.101	0.1703
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0104	0.0891	0.1449
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0104	0.0891	0.1439
Echinococcus multilocularis	sterile alpha and tir motif containing protein	0.0027	0.0051	0.003
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0104	0.0891	0.0857
Schistosoma mansoni	hypothetical protein	0.0027	0.0051	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0108	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1401	0.2362
Entamoeba histolytica	hypothetical protein	0.0035	0.013	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0085
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0419	0.4331	0.431
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0151	0.1401	0.2315
Brugia malayi	latrophilin 2 splice variant baaae	0.0103	0.0879	0.1428
Echinococcus granulosus	tumor suppressor p53 binding protein 1	0.0357	0.3645	0.6054
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0033	0.0108	0.5
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0572	0.5997	1
Brugia malayi	MH2 domain containing protein	0.0115	0.101	0.1651
Echinococcus granulosus	pdz domain containing protein	0.0027	0.0051	0.0023
Echinococcus granulosus	histone acetyltransferase myst3	0.0044	0.0235	0.0333
Schistosoma mansoni	hypothetical protein	0.0181	0.1727	0.1696
Echinococcus multilocularis	tumor suppressor p53 binding protein 1	0.0357	0.3645	0.6057
Schistosoma mansoni	hypothetical protein	0.0357	0.3645	0.3622
Schistosoma mansoni	lip-related protein (liprin) alpha	0.0027	0.0051	0.0014
Echinococcus multilocularis	chromobox protein 2	0.0215	0.2096	0.3459
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0891	0.1502
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.008	0.062	0.0968
Onchocerca volvulus	Pyruvate kinase homolog	0.0033	0.0108	0.0138
Echinococcus granulosus	SAM and MBT domain containing protein	0.0419	0.4331	0.7204
Brugia malayi	jmjC domain containing protein	0.0149	0.1381	0.228
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.0756	0.1219
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0273	0.04
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0566	0.5931	1
Mycobacterium ulcerans	glutaminase	0.0298	0.3005	0.4974
Brugia malayi	bicaudal-C	0.0027	0.0051	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0273	0.046
Echinococcus multilocularis	liprin alpha 2	0.0027	0.0051	0.003
Loa Loa (eye worm)	pyruvate kinase	0.0033	0.0108	0.0183
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0419	0.4331	0.7206
Echinococcus multilocularis	liprin alpha 2	0.0027	0.0051	0.003
Loa Loa (eye worm)	mbt repeat family protein	0.0301	0.3042	0.5128
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0028	0.0053	0.0027
Onchocerca volvulus	Huntingtin homolog	0.0125	0.1114	0.209
Echinococcus granulosus	Sterile alpha motif type	0.0027	0.0051	0.0023
Echinococcus granulosus	pyruvate kinase	0.0033	0.0108	0.012
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0033	0.0108	0.0121
Onchocerca volvulus		0.0027	0.0051	0.0026
Echinococcus multilocularis	pdz domain containing protein	0.0027	0.0051	0.003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0085
Brugia malayi	AIDA-1b	0.0027	0.0051	0.0023
Giardia lamblia	Synaptic glycoprotein SC2	0.008	0.062	1
Onchocerca volvulus		0.0027	0.0051	0.0026
Schistosoma mansoni	polyhomeotic	0.0027	0.0051	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0085
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0029	0.0072	0.0035
Trypanosoma brucei	pyruvate kinase 1, putative	0.0033	0.0108	0.0098
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0488	0.0453
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0273	0.0402
Onchocerca volvulus	Tankyrase homolog	0.0027	0.0051	0.0026
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0104	0.0891	0.1433
Plasmodium vivax	pyruvate kinase, putative	0.0033	0.0108	0.1013
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0566	0.5931	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0566	0.5931	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0037	0.0007
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0572	0.5997	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0488	0.0453
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0033	0.0108	0.0098
Onchocerca volvulus		0.0027	0.0051	0.0026
Schistosoma mansoni	DNAj-like protein	0.0027	0.0051	0.0014
Echinococcus multilocularis	musashi	0.0026	0.0037	0.0007
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.008	0.062	0.0968
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0566	0.5931	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.0488	0.0453
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0273	0.0402
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0108	0.0126
Brugia malayi	mbt repeat family protein	0.0498	0.5191	0.8745
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0085
Entamoeba histolytica	hypothetical protein	0.008	0.062	0.1045
Echinococcus multilocularis	polycomb protein SCMH1	0.029	0.2913	0.4829
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0151	0.1401	0.2315
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0566	0.5931	1
Loa Loa (eye worm)	AIDA-1b	0.0027	0.0051	0.0085
Loa Loa (eye worm)	hypothetical protein	0.008	0.062	0.1045
Loa Loa (eye worm)	MBCTL1	0.0104	0.0891	0.1502
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0028	0.0053	0.0034
Chlamydia trachomatis	pyruvate kinase	0.0033	0.0108	0.5
Schistosoma mansoni	glutaminase	0.0298	0.3005	0.2979
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.008	0.062	0.0984
Echinococcus multilocularis	pyruvate kinase	0.0033	0.0108	0.0126
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.101	0.1703
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0151	0.1401	0.2362
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0566	0.5931	1
Onchocerca volvulus		0.0329	0.3342	0.6411
Loa Loa (eye worm)	hypothetical protein	0.008	0.062	0.1045
Schistosoma mansoni	sex comb on midleg homolog	0.029	0.2913	0.2887

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.54 uM	Inhibition of Steroid 5-alpha-reductase type I from rat ventral prostate (RVP)	ChEMBL.	12139451
IC50 (binding)	= 0.54 uM	Inhibition of Steroid 5-alpha-reductase type I from rat ventral prostate (RVP)	ChEMBL.	12139451
IC50 (binding)	= 0.69 uM	Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)	ChEMBL.	12139451
IC50 (binding)	= 0.69 uM	Inhibition of Steroid 5-alpha-reductase type 2 of rat ventral prostate (RVP)	ChEMBL.	12139451
IC50 (binding)	= 0.83 uM	Inhibition of Steroid 5-alpha-reductase type 2 from human benign prostatic hyperplasia (BPH) tissue	ChEMBL.	12139451
IC50 (binding)	= 0.83 uM	Inhibition of Steroid 5-alpha-reductase type 2 from human benign prostatic hyperplasia (BPH) tissue	ChEMBL.	12139451
Inhibition (binding)	= 22 %	Inhibition of Steroid 5-alpha-reductase type I of human DU 145 prostatic tumor cell line, at 10 microM	ChEMBL.	12139451
Inhibition (binding)	= 22 %	Inhibition of Steroid 5-alpha-reductase type I of human DU 145 prostatic tumor cell line, at 10 microM	ChEMBL.	12139451

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: CHEMBL114594

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 188455