Detailed information for compound 1463989

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 502.568 | Formula: C28H33F3N2O3
  • H donors: 2 H acceptors: 3 LogP: 4.62 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: NC(=O)CC[C@@]1(CC[C@@H](CC1)N(C(=O)c1ccc(cc1)[C@@](C(F)(F)F)(O)C)C1CC1)c1ccccc1
  • InChi: 1S/C28H33F3N2O3/c1-26(36,28(29,30)31)20-9-7-19(8-10-20)25(35)33(22-11-12-22)23-13-16-27(17-14-23,18-15-24(32)34)21-5-3-2-4-6-21/h2-10,22-23,36H,11-18H2,1H3,(H2,32,34)/t23-,26-,27-/m0/s1
  • InChiKey: GGXWRFSOCBTDDI-YGPDHOBYSA-N  


Substructure search Similarity search

Network

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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 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax tubulin beta chain, putative 0.2475 1 1
Brugia malayi hypothetical protein 0.0103 0.0304 0.0262
Leishmania major beta tubulin 0.2475 1 1
Brugia malayi MH2 domain containing protein 0.0041 0.0052 0.0009
Loa Loa (eye worm) hypothetical protein 0.1819 0.7319 0.7319
Trichomonas vaginalis tubulin beta chain, putative 0.1819 0.7319 0.7308
Loa Loa (eye worm) TOPoisomerase family member 0.0064 0.0146 0.0146
Trichomonas vaginalis tubulin gamma chain, putative 0.1324 0.5296 0.5276
Trypanosoma brucei alpha tubulin 0.1819 0.7319 0.7295
Trichomonas vaginalis tubulin alpha chain, putative 0.1324 0.5296 0.5276
Brugia malayi Tubulin alpha chain 0.0575 0.2234 0.22
Trypanosoma cruzi epsilon tubulin, putative 0.1324 0.5296 0.5253
Mycobacterium leprae cell division protein FtsZ 0.0575 0.2234 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.2475 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0575 0.2234 0.2118
Trichomonas vaginalis tubulin beta chain, putative 0.1819 0.7319 0.7308
Toxoplasma gondii beta tubulin 0.2475 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0043 0.0043
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0064 0.0146 0.0095
Entamoeba histolytica tubulin alpha-1 chain 0.1819 0.7319 0.7279
Schistosoma mansoni tubulin subunit gamma 0.1324 0.5296 0.5272
Loa Loa (eye worm) alpha-tubulin 0.1819 0.7319 0.7319
Trichomonas vaginalis tubulin epsilon chain, putative 0.1819 0.7319 0.7308
Trypanosoma cruzi tubulin delta chain 0.0575 0.2234 0.2163
Loa Loa (eye worm) glutaminase 0.0273 0.1 0.1
Schistosoma mansoni transcription factor LCR-F1 0.0145 0.0477 0.0427
Brugia malayi tubulin alpha chain - mouse 0.1819 0.7319 0.7308
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.1324 0.5296 0.5226
Leishmania major beta tubulin 0.2475 1 1
Trichomonas vaginalis tubulin, putative 0.2475 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.1819 0.7319 0.7305
Brugia malayi Tubulin alpha chain 0.1819 0.7319 0.7308
Leishmania major beta tubulin 0.2475 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.1819 0.7319 0.7279
Echinococcus granulosus tubulin alpha chain 0.1819 0.7319 0.7305
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0064 0.0146 0.0095
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.025 0.0199
Echinococcus multilocularis beta tubulin 0.2475 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0095 0.0274 0.0185
Echinococcus granulosus tubulin alpha 0.1324 0.5296 0.5272
Brugia malayi Smad1 0.0041 0.0052 0.0009
Toxoplasma gondii LsmAD domain-containing protein 0.0103 0.0304 0.016
Schistosoma mansoni tubulin subunit alpha 0.1819 0.7319 0.7305
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.0274 0.0223
Trichomonas vaginalis tubulin beta-1 chain, putative 0.0575 0.2234 0.22
Echinococcus multilocularis tubulin alpha 1C chain 0.1819 0.7319 0.7305
Trypanosoma cruzi DNA topoisomerase II, putative 0.0058 0.012 0.003
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.0304 0.0216
Trypanosoma brucei beta tubulin 0.2475 1 1
Echinococcus granulosus chromobox protein 1 0.007 0.0168 0.0117
Echinococcus granulosus tubulin alpha chain 0.1819 0.7319 0.7305
Echinococcus multilocularis tubulin subunit TubB 0.1819 0.7319 0.7305
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0052 0.0052
Loa Loa (eye worm) tubulin alpha 2 0.0495 0.1907 0.1907
Echinococcus granulosus tubulin subunit beta 0.2475 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.1819 0.7319 0.7319
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0095 0.0274 0.0223
Leishmania major beta tubulin 0.2475 1 1
Trypanosoma brucei tubulin delta chain 0.0575 0.2234 0.2163
Trypanosoma cruzi DNA topoisomerase II, putative 0.0058 0.012 0.003
Brugia malayi Cell division protein ftsZ 0.0575 0.2234 0.22
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Schistosoma mansoni tubulin subunit epsilon 0.1324 0.5296 0.5272
Echinococcus multilocularis Tubulin alpha 1 chain 0.1819 0.7319 0.7305
Trypanosoma brucei beta tubulin 0.2475 1 1
Echinococcus granulosus tubulin alpha chain 0.1819 0.7319 0.7305
Echinococcus granulosus tubulin alpha 3 chain 0.1819 0.7319 0.7305
Trichomonas vaginalis tubulin beta chain, putative 0.1819 0.7319 0.7308
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.025 0.0199
Echinococcus multilocularis isocitrate dehydrogenase 0.0095 0.0274 0.0223
Echinococcus granulosus tubulin beta 1 chain 0.2475 1 1
Mycobacterium ulcerans short chain dehydrogenase 0.0338 0.1266 0.2155
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Echinococcus granulosus tubulin gamma 1 chain 0.1324 0.5296 0.5272
Trichomonas vaginalis tubulin epsilon chain, putative 0.2475 1 1
Echinococcus multilocularis chromobox protein 1 0.007 0.0168 0.0117
Loa Loa (eye worm) alpha-tubulin 0.1819 0.7319 0.7319
Trichomonas vaginalis tubulin beta chain, putative 0.1819 0.7319 0.7308
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Loa Loa (eye worm) tubulin beta chain 0.0575 0.2234 0.2234
Echinococcus granulosus chromobox protein 1 0.007 0.0168 0.0117
Toxoplasma gondii beta-1 tubulin, putative 0.2475 1 1
Leishmania major beta tubulin 0.2475 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.1244 0.4969 0.4947
Plasmodium falciparum alpha tubulin 2 0.1819 0.7319 0.7299
Mycobacterium ulcerans cell division protein FtsZ 0.0575 0.2234 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0047 0.0074 0.0223
Echinococcus granulosus Tubulin alpha 1 chain 0.1819 0.7319 0.7305
Leishmania major beta tubulin 0.2475 1 1
Leishmania major epsilon tubulin, putative 0.1324 0.5296 0.5253
Echinococcus granulosus tubulin beta 4A class IVa 0.2475 1 1
Giardia lamblia Beta tubulin 0.2475 1 1
Echinococcus multilocularis tubulin alpha chain 0.1819 0.7319 0.7305
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.0274 0.0223
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0046 0.0072 0.0021
Schistosoma mansoni hypothetical protein 0.1022 0.4062 0.4031
Schistosoma mansoni tubulin subunit beta 0.0575 0.2234 0.2193
Echinococcus multilocularis Tubulin beta 2C chain 0.2475 1 1
Loa Loa (eye worm) tubulin alpha chain 0.1819 0.7319 0.7319
Echinococcus granulosus peroxisome assembly protein 26 0.1819 0.7319 0.7305
Entamoeba histolytica tubulin family protein 0.2475 1 1
Loa Loa (eye worm) glutaminase 2 0.0273 0.1 0.1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.1819 0.7319 0.7308
Plasmodium vivax tubulin alpha chain, putative 0.1819 0.7319 0.7279
Loa Loa (eye worm) Smad1 0.0041 0.0052 0.0052
Echinococcus granulosus tubulin alpha chain 0.1819 0.7319 0.7305
Brugia malayi beta-tubulin, identical 0.2475 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.025 0.0199
Brugia malayi hypothetical protein 0.0145 0.0477 0.0435
Echinococcus granulosus Tubulin beta 2C chain 0.2475 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0575 0.2234 0.22
Leishmania major beta tubulin 0.2475 1 1
Brugia malayi Probable DNA topoisomerase II 0.0064 0.0146 0.0104
Brugia malayi hypothetical protein 0.0154 0.0512 0.047
Loa Loa (eye worm) alpha-tubulin isotype 2 0.1244 0.4969 0.4969
Trichomonas vaginalis tubulin epsilon chain, putative 0.2475 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0095 0.0274 0.0185
Echinococcus granulosus geminin 0.1022 0.4062 0.4031
Echinococcus multilocularis peroxisome assembly protein 26 0.1819 0.7319 0.7305
Giardia lamblia Alpha-tubulin 0.1819 0.7319 0.7283
Schistosoma mansoni chromobox protein 0.007 0.0168 0.0117
Trichomonas vaginalis tubulin epsilon chain, putative 0.1819 0.7319 0.7308
Giardia lamblia Alpha-tubulin 0.1819 0.7319 0.7283
Loa Loa (eye worm) tubulin gamma chain 0.1324 0.5296 0.5296
Trypanosoma brucei zeta tubulin 0.0575 0.2234 0.2163
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Echinococcus multilocularis hypothetical protein 0.1819 0.7319 0.7305
Echinococcus multilocularis beta tubulin 0.2475 1 1
Trypanosoma brucei beta tubulin 0.2475 1 1
Leishmania major delta tubulin, putative 0.0575 0.2234 0.2163
Plasmodium falciparum tubulin delta chain, putative 0.0575 0.2234 0.2176
Echinococcus granulosus Tubulin alpha 1 chain 0.1819 0.7319 0.7305
Plasmodium falciparum DNA topoisomerase 2 0.0064 0.0146 0.0073
Echinococcus granulosus beta tubulin 0.2475 1 1
Trichomonas vaginalis chromobox protein, putative 0.007 0.0168 0.0126
Schistosoma mansoni hypothetical protein 0.1022 0.4062 0.4031
Echinococcus multilocularis tubulin alpha 1C chain 0.1819 0.7319 0.7305
Schistosoma mansoni tubulin subunit alpha 0.1819 0.7319 0.7305
Schistosoma mansoni DNA topoisomerase II 0.0064 0.0146 0.0095
Trichomonas vaginalis chromobox protein, putative 0.007 0.0168 0.0126
Echinococcus multilocularis Tubulin alpha 1 chain 0.1819 0.7319 0.7305
Echinococcus multilocularis tubulin alpha 3 chain 0.1819 0.7319 0.7305
Plasmodium falciparum tubulin beta chain 0.2475 1 1
Trypanosoma brucei beta tubulin 0.2475 1 1
Schistosoma mansoni tubulin subunit beta 0.2475 1 1
Trypanosoma brucei epsilon tubulin 0.1324 0.5296 0.5253
Schistosoma mansoni hypothetical protein 0.0145 0.0477 0.0427
Entamoeba histolytica hypothetical protein 0.0145 0.0477 0.0335
Schistosoma mansoni alpha tubulin 0.1819 0.7319 0.7305
Trichomonas vaginalis tubulin, putative 0.0749 0.2946 0.2916
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Schistosoma mansoni tubulin subunit beta 0.2475 1 1
Brugia malayi Tubulin beta chain 0.0575 0.2234 0.22
Mycobacterium tuberculosis Cell division protein FtsZ 0.0575 0.2234 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0749 0.2946 0.2916
Trypanosoma brucei PAB1-binding protein , putative 0.0103 0.0304 0.0216
Loa Loa (eye worm) transcription factor SMAD2 0.0603 0.2349 0.2349
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0064 0.0146 0.0104
Echinococcus granulosus Tubulin beta 2C chain 0.2475 1 1
Schistosoma mansoni glutaminase 0.0273 0.1 0.0953
Echinococcus granulosus beta tubulin 0.2475 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.1819 0.7319 0.7308
Entamoeba histolytica hypothetical protein 0.0145 0.0477 0.0335
Echinococcus multilocularis tubulin alpha chain 0.1819 0.7319 0.7305
Trypanosoma brucei alpha tubulin, putative 0.0749 0.2946 0.2882
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0055 0.0012
Schistosoma mansoni tubulin subunit beta 0.2475 1 1
Echinococcus multilocularis tubulin delta chain 0.0575 0.2234 0.2193
Echinococcus granulosus tubulin delta chain 0.0575 0.2234 0.2193
Brugia malayi isocitrate dehydrogenase 0.0095 0.0274 0.0231
Brugia malayi Tubulin gamma chain 0.1324 0.5296 0.5276
Trichomonas vaginalis tubulin, putative 0.0575 0.2234 0.22
Echinococcus granulosus tubulin alpha chain 0.1819 0.7319 0.7305
Echinococcus granulosus Tubulin beta 2C chain 0.2475 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.025 0.0199
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0575 0.2234 0.2118
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Brugia malayi Heterochromatin protein 1 0.007 0.0168 0.0126
Schistosoma mansoni tubulin subunit alpha 0.1819 0.7319 0.7305
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Loa Loa (eye worm) hypothetical protein 0.0043 0.006 0.006
Trypanosoma cruzi zeta tubulin, putative 0.0575 0.2234 0.2163
Trichomonas vaginalis tubulin alpha chain, putative 0.0749 0.2946 0.2916
Leishmania major beta tubulin 0.2475 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0575 0.2234 0.5
Loa Loa (eye worm) pax transcription factor protein 2 0.0472 0.1812 0.1812
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0055 0.0012
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0047 0.0074 0.0223
Schistosoma mansoni tubulin subunit beta 0.2475 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0603 0.2349 0.2349
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.0274 0.0185
Brugia malayi hypothetical protein 0.0066 0.0155 0.0112
Schistosoma mansoni alpha tubulin 0.1819 0.7319 0.7305
Chlamydia trachomatis DNA gyrase subunit B 0.0035 0.0026 0.5
Echinococcus multilocularis tubulin alpha chain 0.1819 0.7319 0.7305
Onchocerca volvulus 0.0154 0.0512 0.1712
Leishmania major beta tubulin 0.2475 1 1
Giardia lamblia Gamma tubulin 0.1324 0.5296 0.5232
Loa Loa (eye worm) BEN-1 protein 0.2475 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0338 0.1266 0.5061
Loa Loa (eye worm) beta-tubulin 0.2475 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0095 0.0274 0.0274
Leishmania major hypothetical protein, conserved 0.0103 0.0304 0.0216
Trichomonas vaginalis tubulin beta chain, putative 0.1819 0.7319 0.7308
Plasmodium falciparum tubulin epsilon chain, putative 0.1324 0.5296 0.5261
Onchocerca volvulus 0.0749 0.2946 1
Trypanosoma brucei beta tubulin 0.1324 0.5296 0.5253
Toxoplasma gondii beta-tubulin, putative 0.2475 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0749 0.2946 0.2916
Loa Loa (eye worm) tubulin beta-2A chain 0.2475 1 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0064 0.0146 0.0104
Trypanosoma brucei alpha tubulin 0.1819 0.7319 0.7295
Schistosoma mansoni hypothetical protein 0.0046 0.0072 0.0021
Loa Loa (eye worm) BEN-1 protein 0.2475 1 1
Schistosoma mansoni alpha tubulin 0.1819 0.7319 0.7305
Loa Loa (eye worm) tubulin beta-4 chain 0.2475 1 1
Giardia lamblia Delta tubulin 0.0575 0.2234 0.2128
Brugia malayi MH1 domain containing protein 0.0041 0.0052 0.0009
Loa Loa (eye worm) hypothetical protein 0.0031 0.0009 0.0009
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.0304 0.0232
Brugia malayi glutaminase DH11.1 0.0273 0.1 0.096
Toxoplasma gondii isocitrate dehydrogenase 0.0095 0.0274 0.0129
Echinococcus granulosus tubulin alpha 1C chain 0.1819 0.7319 0.7305
Brugia malayi MH1 domain containing protein 0.0041 0.0052 0.0009
Trypanosoma brucei tubulin gamma chain 0.1324 0.5296 0.5253
Plasmodium falciparum alpha tubulin 1 0.1819 0.7319 0.7299
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.081 0.3194 0.3158
Trypanosoma brucei epsilon tubulin 0.1324 0.5296 0.5253
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Brugia malayi MH2 domain containing protein 0.0041 0.0052 0.0009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.025 0.0199
Giardia lamblia Epsilon tubulin 0.0575 0.2234 0.2128
Echinococcus multilocularis tubulin gamma 1 chain 0.1324 0.5296 0.5272
Loa Loa (eye worm) hypothetical protein 0.0043 0.006 0.006
Trichomonas vaginalis tubulin beta chain, putative 0.0749 0.2946 0.2916
Schistosoma mansoni tubulin subunit delta 0.0575 0.2234 0.2193
Schistosoma mansoni tubulin subunit beta 0.2475 1 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0058 0.012 0.003
Echinococcus multilocularis tubulin alpha chain 0.1819 0.7319 0.7305
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.107 0.4257 0.4232
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0047 0.0074 0.0223
Trypanosoma brucei epsilon tubulin 0.1324 0.5296 0.5253
Plasmodium falciparum tubulin gamma chain 0.1324 0.5296 0.5261
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0095 0.0274 0.0201
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0058 0.012 0.003
Schistosoma mansoni tubulin subunit beta 0.2475 1 1
Trypanosoma brucei alpha tubulin 0.1819 0.7319 0.7295
Echinococcus granulosus Tubulin beta 2C chain 0.2475 1 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0064 0.0146 0.0104
Toxoplasma gondii isocitrate dehydrogenase 0.0095 0.0274 0.0129
Loa Loa (eye worm) hypothetical protein 0.1244 0.4969 0.4969
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0095 0.0274 0.0129
Echinococcus multilocularis tubulin, beta 4A class IVa 0.2475 1 1
Brugia malayi Tubulin alpha-2 chain 0.1819 0.7319 0.7308
Echinococcus granulosus Tubulin alpha 1 chain 0.1819 0.7319 0.7305
Entamoeba histolytica hypothetical protein 0.0145 0.0477 0.0335
Toxoplasma gondii alpha-tubulin I, putative 0.1819 0.7319 0.7279
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Trypanosoma cruzi zeta tubulin, putative 0.0575 0.2234 0.2163
Plasmodium vivax tubulin epsilon chain, putative 0.1324 0.5296 0.5226
Loa Loa (eye worm) tubulin beta-1 chain 0.2475 1 1
Leishmania major beta tubulin 0.2475 1 1
Loa Loa (eye worm) tubulin alpha chain 0.1819 0.7319 0.7319
Leishmania major beta tubulin 0.2475 1 1
Giardia lamblia Beta tubulin 0.2475 1 1
Echinococcus multilocularis tubulin subunit beta 0.2475 1 1
Echinococcus granulosus alpha tubulin 0.1819 0.7319 0.7305
Trichomonas vaginalis conserved hypothetical protein 0.0575 0.2234 0.22
Plasmodium falciparum ataxin-2 like protein, putative 0.0103 0.0304 0.0232
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0055 0.0158
Echinococcus multilocularis tubulin alpha 0.1324 0.5296 0.5272
Echinococcus multilocularis Tubulin beta 2C chain 0.2475 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.025 0.025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.025 0.0199
Trypanosoma brucei alpha tubulin 0.1819 0.7319 0.7295
Trichomonas vaginalis tubulin alpha chain, putative 0.2475 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.025 0.0208
Brugia malayi MH2 domain containing protein 0.0603 0.2349 0.2316
Leishmania major DNA topoisomerase ii 0.0058 0.012 0.003
Trypanosoma cruzi alpha tubulin, putative 0.1819 0.7319 0.7295
Echinococcus multilocularis chromobox protein 1 0.007 0.0168 0.0117
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.0274 0.0185
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0052 0.0052
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0168 0.0168
Trichomonas vaginalis tubulin gamma chain, putative 0.2475 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0103 0.0304 0.0216
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0749 0.2946 0.2916
Schistosoma mansoni tubulin subunit alpha 0.0575 0.2234 0.2193
Leishmania major beta tubulin 0.2475 1 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0043 0.0117
Loa Loa (eye worm) tubulin alpha-3 chain 0.107 0.4257 0.4257
Echinococcus multilocularis Tubulin beta 2C chain 0.2475 1 1
Plasmodium vivax tubulin gamma chain, putative 0.1324 0.5296 0.5226
Brugia malayi Tubulin beta chain 0.0749 0.2946 0.2916
Echinococcus multilocularis tubulin beta 1 chain 0.2475 1 1
Loa Loa (eye worm) hypothetical protein 0.0154 0.0512 0.0512
Leishmania major beta tubulin 0.2475 1 1
Loa Loa (eye worm) tubulin alpha 2 0.1244 0.4969 0.4969
Trypanosoma cruzi beta tubulin, putative 0.2475 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.2475 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0095 0.0274 0.0223
Echinococcus multilocularis Tubulin beta 2C chain 0.2475 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0575 0.2234 0.22
Echinococcus multilocularis tubulin epsilon chain 0.1324 0.5296 0.5272
Trichomonas vaginalis tubulin, putative 0.0749 0.2946 0.2916
Echinococcus granulosus tubulin alpha 1C chain 0.1819 0.7319 0.7305
Leishmania major beta tubulin 0.2475 1 1
Brugia malayi Isocitrate dehydrogenase 0.0095 0.0274 0.0231
Loa Loa (eye worm) tubulin beta chain 0.2475 1 1
Echinococcus granulosus tubulin subunit TubB 0.1819 0.7319 0.7305
Entamoeba histolytica hypothetical protein 0.0145 0.0477 0.0335
Plasmodium vivax ataxin-2 like protein, putative 0.0103 0.0304 0.016
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0145 0.0477 0.0427
Trichomonas vaginalis glutaminase, putative 0.0273 0.1 0.096
Brugia malayi alpha-tubulin 0.1819 0.7319 0.7308
Loa Loa (eye worm) tubulin alpha 2 0.1244 0.4969 0.4969
Trypanosoma cruzi epsilon tubulin, putative 0.1324 0.5296 0.5253
Leishmania major beta tubulin 0.2475 1 1
Brugia malayi Tubulin alpha-2 chain 0.1819 0.7319 0.7308
Plasmodium vivax delta tubulin, putative 0.0575 0.2234 0.2118
Entamoeba histolytica tubulin alpha chain, putative 0.1819 0.7319 0.7279
Leishmania major beta tubulin 0.2475 1 1
Treponema pallidum cell division protein FtsZ 0.0575 0.2234 0.5
Leishmania major zeta tubulin, putative 0.0575 0.2234 0.2163
Trypanosoma cruzi tubulin gamma chain 0.1324 0.5296 0.5253
Trichomonas vaginalis tubulin gamma chain, putative 0.1324 0.5296 0.5276
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0095 0.0274 0.0223
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0145 0.0477 0.0427
Giardia lamblia Beta tubulin 0.2475 1 1
Leishmania major beta tubulin 0.2475 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0575 0.2234 0.22
Leishmania major gamma-tubulin 0.1324 0.5296 0.5253
Entamoeba histolytica tubulin gamma chain 0.1324 0.5296 0.5226
Entamoeba histolytica tubulin family protein 0.2475 1 1
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Echinococcus multilocularis tubulin alpha 3 chain 0.1819 0.7319 0.7305
Loa Loa (eye worm) hypothetical protein 0.107 0.4257 0.4257
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Trypanosoma cruzi tubulin delta chain 0.0575 0.2234 0.2163
Echinococcus granulosus tubulin epsilon chain 0.1324 0.5296 0.5272
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.025 0.0199
Trypanosoma brucei zeta tubulin, putative 0.0575 0.2234 0.2163
Echinococcus granulosus Tubulin beta 2C chain 0.2475 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.0274 0.0223
Onchocerca volvulus 0.0472 0.1812 0.6138
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0046 0.0072 0.0021
Loa Loa (eye worm) hypothetical protein 0.0103 0.0304 0.0304
Echinococcus multilocularis tubulin alpha chain 0.1819 0.7319 0.7305
Echinococcus multilocularis geminin 0.1022 0.4062 0.4031
Brugia malayi Pax transcription factor protein 2 0.0472 0.1812 0.1776
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0095 0.0274 0.0185
Schistosoma mansoni chromobox protein 0.007 0.0168 0.0117
Plasmodium vivax tubulin alpha chain, putative 0.1819 0.7319 0.7279
Echinococcus multilocularis Tubulin alpha 1 chain 0.1819 0.7319 0.7305
Leishmania major beta tubulin 0.2475 1 1
Leishmania major alpha tubulin 0.1819 0.7319 0.7295
Brugia malayi tubulin alpha-2 chain 0.1819 0.7319 0.7308

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) < 5 % Activation of PXR relative to control ChEMBL. 21093258
IC50 (binding) = 0.8 nM Inhibition of human full length 11beta-HSD1 assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay ChEMBL. 21093258
IC50 (binding) = 3.9 nM Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay ChEMBL. 21093258
IC50 (binding) = 17 nM Inhibition of human recombinant full length 11beta-HSD1 expressed in human adipocytes assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of 3% human serum albumin ChEMBL. 21093258
IC50 (binding) = 37 nM Inhibition of human recombinant full length 11beta-HSD1 expressed in HEK293 cells assessed as inhibition of conversion of [3H]cortisone to [3H]cortisol by scintillation proximity assay in presence of 3% human serum albumin ChEMBL. 21093258

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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