TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 480.523 | Formula: C24H31F3N4O3
H donors: 2 H acceptors: 3 LogP: 3.34 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(/[C@]12CC3CC(C2)[C@@H](C(C1)C3)N1CC(C(C1=O)(C)C)COc1ccc(cn1)C(F)(F)F)\N
InChi: 1S/C24H31F3N4O3/c1-22(2)17(12-34-18-4-3-16(10-29-18)24(25,26)27)11-31(21(22)32)19-14-5-13-6-15(19)9-23(7-13,8-14)20(28)30-33/h3-4,10,13-15,17,19,33H,5-9,11-12H2,1-2H3,(H2,28,30)/t13?,14?,15?,17?,19-,23-
InChiKey: UZCSLSQPVOHMEK-WFEZEDJFSA-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	hydroxysteroid (11-beta) dehydrogenase 2	Starlite/ChEMBL	References
Homo sapiens	hydroxysteroid (11-beta) dehydrogenase 1	Starlite/ChEMBL	References
Mus musculus	hydroxysteroid 11-beta dehydrogenase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable oxidoreductase	Get druggable targets OG5_132866	All targets in OG5_132866
Mycobacterium ulcerans	short chain dehydrogenase	Get druggable targets OG5_132866	All targets in OG5_132866

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxysteroid (11-beta) dehydrogenase 1	292 aa	250 aa	24.8 %
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxysteroid 11-beta dehydrogenase 1	292 aa	246 aa	25.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0014	0.0017	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Plasmodium falciparum	kinesin-5	0.0455	0.1279	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0014	0.0017	0.2073
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.001	0.0012
Schistosoma mansoni	carbonyl reductase	0.0014	0.0017	0.002
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0014	0.0017	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0014	0.0017	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0014	0.0017	0.2073
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0014	0.0017	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0014	0.0017	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0014	0.0017	0.0017
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Mycobacterium tuberculosis	Probable oxidoreductase	0.0681	0.1926	1
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0014	0.0017	0.2073
Echinococcus granulosus	carbonyl reductase 1	0.0014	0.0017	0.0017
Onchocerca volvulus		0.0014	0.0017	0.5
Mycobacterium ulcerans	short chain dehydrogenase	0.0681	0.1926	1
Echinococcus granulosus	WW domain containing oxidoreductase	0.0014	0.0017	0.0017
Leishmania major	quinonoid dihydropteridine reductase	0.0014	0.0017	0.5
Brugia malayi	dehydrogenases, short chain protein 2	0.0014	0.0017	0.0136
Giardia lamblia	Kinesin-5	0.0455	0.1279	1
Schistosoma mansoni	hypothetical protein	0.3047	0.8698	1
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0014	0.0017	0.5
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0014	0.0017	0.0136
Toxoplasma gondii	kinesin motor domain-containing protein	0.0455	0.1279	1
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0014	0.0017	0.0136
Leishmania major	short chain dehydrogenase/reductase, putative	0.0014	0.0017	0.5
Leishmania major	hypothetical protein, conserved	0.0014	0.0017	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.004	0.0092	0.0092
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Brugia malayi	oxidoreductase	0.0014	0.0017	0.0136
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0014	0.0017	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0014	0.0017	0.5
Schistosoma mansoni	carbonyl reductase	0.0014	0.0017	0.002
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0012	0.001	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0014	0.0017	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0014	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Leishmania major	hypothetical protein, conserved	0.0014	0.0017	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0014	0.0017	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0014	0.0017	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0014	0.0017	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0037	0.0084	1
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Onchocerca volvulus		0.0014	0.0017	0.5
Leishmania major	oxidoreductase-like protein	0.0014	0.0017	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0014	0.0017	0.2073
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0012	0.001	0.001
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0455	0.1279	1
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0014	0.0017	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0014	0.0017	0.002
Leishmania major	quinonoid dihydropteridine reductase	0.0014	0.0017	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.004	0.0092	0.0716
Onchocerca volvulus	Sepiapterin reductase homolog	0.0014	0.0017	0.5
Brugia malayi	hypothetical protein	0.0014	0.0017	0.0136
Schistosoma mansoni	carbonyl reductase	0.0014	0.0017	0.002
Leishmania major	short chain dehydrogenase, putative	0.0014	0.0017	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Leishmania major	quinonoid dihydropteridine reductase	0.0014	0.0017	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0037	0.0084	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0014	0.0017	0.0017
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0014	0.0017	0.0017
Trypanosoma brucei	oxidoreductase-like protein	0.0014	0.0017	0.5
Echinococcus multilocularis	kinesin family 1	0.3502	1	1
Echinococcus granulosus	carbonyl reductase 1	0.0014	0.0017	0.0017
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0014	0.0017	0.2073
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0014	0.0017	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0077	0.0598
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0014	0.0017	0.0017
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0014	0.0017	0.5
Echinococcus granulosus	voltage gated potassium channel	0.0012	0.001	0.001
Brugia malayi	Kinesin motor domain containing protein	0.0455	0.1279	1
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0014	0.0017	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0014	0.0017	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0014	0.0017	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0014	0.0017	0.5
Onchocerca volvulus		0.0014	0.0017	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0014	0.0017	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0014	0.0017	0.0017
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0014	0.0017	0.0017
Loa Loa (eye worm)	dehydrogenase	0.0014	0.0017	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0017	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0014	0.0017	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0012	0.001	0.0012
Onchocerca volvulus		0.0014	0.0017	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0014	0.0017	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0014	0.0017	0.0017
Echinococcus multilocularis	voltage gated potassium channel	0.0012	0.001	0.001
Brugia malayi	Dehydrogenases, short chain protein 2	0.0014	0.0017	0.0136
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0014	0.0017	0.5
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0014	0.0017	0.5
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0014	0.0017	0.2073
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Brugia malayi	dehydrogenases, short chain protein 9	0.0014	0.0017	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Onchocerca volvulus		0.0014	0.0017	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0014	0.0017	0.2073
Leishmania major	short chain dehydrogenase, putative	0.0014	0.0017	0.5
Loa Loa (eye worm)	dehydrogenase	0.0014	0.0017	0.0136
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Echinococcus multilocularis	steroid dehydrogenase	0.0014	0.0017	0.0017
Mycobacterium leprae	Probable oxidoreductase	0.0014	0.0017	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0014	0.0017	0.0017
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0014	0.0017	0.2073
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0014	0.0017	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0014	0.0017	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0017	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0014	0.0017	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0014	0.0017	0.0017
Echinococcus multilocularis	retinol dehydrogenase 11	0.0014	0.0017	0.0017
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0014	0.0017	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0014	0.0017	0.5
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Echinococcus granulosus	steroid dehydrogenase	0.0014	0.0017	0.0017
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0014	0.0017	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0014	0.0017	0.0017
Leishmania major	short chain dehydrogenase-like protein	0.0014	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.004	0.0092	0.0092
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0017	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0014	0.0017	0.2073
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0014	0.0017	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Echinococcus multilocularis	conserved hypothetical protein	0.0014	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Plasmodium vivax	kinesin-5	0.0455	0.1279	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.004	0.0092	0.0716
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0014	0.0017	0.0017
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0014	0.0017	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0014	0.0017	0.5
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Leishmania major	dehydrogenase-like protein	0.0014	0.0017	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0014	0.0017	0.2073
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Brugia malayi	Retinol dehydrogenase 12	0.0014	0.0017	0.0136
Onchocerca volvulus		0.0014	0.0017	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0012	0.001	0.001
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0014	0.0017	0.0017
Echinococcus granulosus	hypothetical protein	0.0014	0.0017	0.0017
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0014	0.0017	0.002
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Echinococcus multilocularis	carbonyl reductase 1	0.0014	0.0017	0.0017
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0014	0.0017	0.5
Echinococcus multilocularis	oxidoreductase	0.0014	0.0017	0.0017
Leishmania major	short chain dehydrogenase/reductase, putative	0.0014	0.0017	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0014	0.0017	0.5
Onchocerca volvulus		0.0014	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0014	0.0017	0.5
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0014	0.0017	0.002
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0014	0.0017	0.5
Leishmania major	quinonoid dihydropteridine reductase	0.0014	0.0017	0.5
Schistosoma mansoni	kinesin eg-5	0.0455	0.1279	0.1471
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0014	0.0017	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0014	0.0017	0.0017
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0017	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0014	0.0017	0.2073
Leishmania major	hypothetical protein, conserved	0.0014	0.0017	0.5
Echinococcus granulosus	retinol dehydrogenase 11	0.0014	0.0017	0.0017
Onchocerca volvulus		0.0014	0.0017	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0017	0.5
Leishmania major	pteridine reductase 1	0.0014	0.0017	0.5
Echinococcus granulosus	oxidoreductase	0.0014	0.0017	0.0017
Onchocerca volvulus		0.0014	0.0017	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Onchocerca volvulus		0.0014	0.0017	0.5
Echinococcus multilocularis	retinol dehydrogenase 13	0.0014	0.0017	0.0017
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0.0017	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.0102	0.0117
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0014	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.001	0.0082
Brugia malayi	Dehydrogenases, short chain protein 30	0.0014	0.0017	0.0136
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Leishmania major	hypothetical protein, conserved	0.0014	0.0017	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0014	0.0017	0.0136
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0014	0.0017	0.2073
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0014	0.0017	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0017	0.0136
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0014	0.0017	0.5
Loa Loa (eye worm)	oxidoreductase	0.0014	0.0017	0.0136
Schistosoma mansoni	voltage-gated potassium channel	0.0044	0.0102	0.0117
Echinococcus granulosus	hypothetical protein	0.0014	0.0017	0.0017
Onchocerca volvulus		0.0014	0.0017	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0014	0.0017	0.0017
Entamoeba histolytica	kinesin, putative	0.0455	0.1279	1
Leishmania major	3-keto-dihydrosphingosine reductase	0.0014	0.0017	0.5
Onchocerca volvulus		0.0014	0.0017	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0014	0.0017	0.002
Echinococcus granulosus	retinol dehydrogenase 11	0.0014	0.0017	0.0017
Brugia malayi	hypothetical protein	0.0014	0.0017	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Echinococcus multilocularis	retinol dehydrogenase 11	0.0014	0.0017	0.0017
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0014	0.0017	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0014	0.0017	0.0017
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0014	0.0017	0.002
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0014	0.0017	0.0136
Schistosoma mansoni	retinal dehydrogenase	0.0014	0.0017	0.002
Schistosoma mansoni	short chain dehydrogenase	0.0014	0.0017	0.002
Leishmania major	hypothetical protein, conserved	0.0014	0.0017	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 14 nM	Inhibition of mouse 11beta-HSD1	ChEMBL.	16931002
IC50 (binding)	= 14 nM	Inhibition of mouse 11beta-HSD1	ChEMBL.	16931002
IC50 (binding)	= 19 nM	Inhibition of human 11beta-HSD1	ChEMBL.	16931002
IC50 (binding)	= 19 nM	Inhibition of human 11beta-HSD1	ChEMBL.	16931002
IC50 (binding)	= 260 nM	Inhibition of human 11beta-HSD1 expressed in HEK293 cells	ChEMBL.	16931002
IC50 (binding)	= 260 nM	Inhibition of human 11beta-HSD1 expressed in HEK293 cells	ChEMBL.	16931002
IC50 (binding)	= 14000 nM	Inhibition of human 11beta-HSD2	ChEMBL.	16931002
IC50 (binding)	= 14000 nM	Inhibition of human 11beta-HSD2	ChEMBL.	16931002
IC50 (binding)	= 60000 nM	Inhibition of mouse 11beta-HSD2	ChEMBL.	16931002
IC50 (binding)	= 60000 nM	Inhibition of mouse 11beta-HSD2	ChEMBL.	16931002
Stabilty (ADMET)	= 67 %	Stability in mouse liver microsomes after 30 min	ChEMBL.	16931002

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: CHEMBL267734

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 412565