Detailed information for compound 1852199

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 662.817 | Formula: C40H46N4O5
  • H donors: 4 H acceptors: 4 LogP: 6.21 Rotable bonds: 21
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C[C@@H](C(=O)N[C@H](C(=O)NCc1ccccc1)CCc1ccccc1)NC(=O)c1ccc(cc1)OCc1ccccc1)NCC(C)(C)C
  • InChi: 1S/C40H46N4O5/c1-40(2,3)28-42-36(45)25-35(44-37(46)32-20-22-33(23-21-32)49-27-31-17-11-6-12-18-31)39(48)43-34(24-19-29-13-7-4-8-14-29)38(47)41-26-30-15-9-5-10-16-30/h4-18,20-23,34-35H,19,24-28H2,1-3H3,(H,41,47)(H,42,45)(H,43,48)(H,44,46)/t34-,35-/m0/s1
  • InChiKey: LQXNHRNIPLEXSB-PXLJZGITSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens proteasome (prosome, macropain) subunit, beta type, 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 2 (p49/p100) No references
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references
Homo sapiens proteasome (prosome, macropain) subunit, beta type, 5 Starlite/ChEMBL No references
Homo sapiens v-rel avian reticuloendotheliosis viral oncogene homolog A No references
Homo sapiens proteasome (prosome, macropain) subunit, beta type, 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium leprae proteasome (beta subunit) PrcB Get druggable targets OG5_127100 All targets in OG5_127100
Plasmodium berghei proteasome subunit beta type-1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Schistosoma japonicum ko:K02732 20S proteasome subunit beta 6, putative Get druggable targets OG5_127834 All targets in OG5_127834
Leishmania mexicana proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Entamoeba histolytica proteasome subunit beta type 1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Candida albicans proteasome subunit Get druggable targets OG5_127834 All targets in OG5_127834
Candida albicans proteasome subunit Get druggable targets OG5_127100 All targets in OG5_127100
Plasmodium vivax proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative Get druggable targets OG5_127100 All targets in OG5_127100
Candida albicans endopeptidase required for mitosis and sporulation Get druggable targets OG5_127700 All targets in OG5_127700
Giardia lamblia Proteasome subunit beta type 1 Get druggable targets OG5_127834 All targets in OG5_127834
Theileria parva proteasome subunit beta type 2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Schistosoma mansoni proteasome subunit beta 2 (T01 family) Get druggable targets OG5_127700 All targets in OG5_127700
Brugia malayi proteasome subunit beta type 2 Get druggable targets OG5_127700 All targets in OG5_127700
Cryptosporidium parvum 20S proteasome beta subunit D2 (PBD2) , putative Get druggable targets OG5_127700 All targets in OG5_127700
Schistosoma mansoni proteasome subunit beta 2 (T01 family) Get druggable targets OG5_127700 All targets in OG5_127700
Neospora caninum hypothetical protein Get druggable targets OG5_127834 All targets in OG5_127834
Plasmodium yoelii proteasome subunit beta type 1-related Get druggable targets OG5_127834 All targets in OG5_127834
Loa Loa (eye worm) proteasome A-type and B-type family protein Get druggable targets OG5_127100 All targets in OG5_127100
Candida albicans proteasome subunit Get druggable targets OG5_127834 All targets in OG5_127834
Theileria parva proteasome beat subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Plasmodium falciparum proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania infantum proteasome beta 5 subunit, putative Get druggable targets OG5_127100 All targets in OG5_127100
Entamoeba histolytica probable proteasome subunit beta type 2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Trypanosoma brucei gambiense proteasome beta 6 subunit,20S proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Plasmodium knowlesi proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania major proteasome beta 2 subunit, putative Get druggable targets OG5_127700 All targets in OG5_127700
Plasmodium falciparum proteasome subunit beta type-5 Get druggable targets OG5_127100 All targets in OG5_127100
Cryptosporidium hominis proteasome subunit beta type 1 (20S proteasome alpha subunit F) (20S proteasome subunit beta-6) Get druggable targets OG5_127834 All targets in OG5_127834
Giardia lamblia Proteasome subunit beta type 2 Get druggable targets OG5_127700 All targets in OG5_127700
Trypanosoma congolense proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Neospora caninum Family T1, proteasome beta subunit, threonine peptidase, related Get druggable targets OG5_127100 All targets in OG5_127100
Trypanosoma cruzi proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Plasmodium berghei proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Plasmodium falciparum proteasome subunit beta type-1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) Get druggable targets OG5_127100 All targets in OG5_127100
Toxoplasma gondii proteasome subunit beta type 2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Candida albicans proteasome subunit Get druggable targets OG5_127100 All targets in OG5_127100
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma brucei proteasome beta 6 subunit Get druggable targets OG5_127834 All targets in OG5_127834
Babesia bovis proteasome A-type and B-type family protein Get druggable targets OG5_127834 All targets in OG5_127834
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. Get druggable targets OG5_127100 All targets in OG5_127100
Candida albicans endopeptidase required for mitosis and sporulation Get druggable targets OG5_127700 All targets in OG5_127700
Babesia bovis proteasome beta 2 subunit, putative Get druggable targets OG5_127700 All targets in OG5_127700
Echinococcus multilocularis proteasome (prosome, macropain) Get druggable targets OG5_127100 All targets in OG5_127100
Plasmodium knowlesi proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Trypanosoma brucei proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Cryptosporidium parvum Pre2p/proteasome subunit beta type 5; NTN hydrolase fold Get druggable targets OG5_127100 All targets in OG5_127100
Trypanosoma brucei gambiense proteasome beta 5 subunit, putative Get druggable targets OG5_127100 All targets in OG5_127100
Plasmodium vivax proteasome subunit beta type-1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Cryptosporidium parvum proteasome subunit beta type 1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Brugia malayi proteasome subunit beta type 1 Get druggable targets OG5_127834 All targets in OG5_127834
Toxoplasma gondii proteasome subunit beta type, putative Get druggable targets OG5_127100 All targets in OG5_127100
Plasmodium vivax proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Loa Loa (eye worm) proteasome subunit beta type 1 Get druggable targets OG5_127834 All targets in OG5_127834
Leishmania braziliensis proteasome beta 2 subunit, putative Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania infantum proteasome beta 2 subunit, putative Get druggable targets OG5_127700 All targets in OG5_127700
Schistosoma mansoni proteasome subunit beta 1 (T01 family) Get druggable targets OG5_127834 All targets in OG5_127834
Plasmodium yoelii proteosome PSMB5/8 protein Get druggable targets OG5_127100 All targets in OG5_127100
Loa Loa (eye worm) proteasome subunit beta type 2 Get druggable targets OG5_127700 All targets in OG5_127700
Mycobacterium ulcerans proteasome PrcB Get druggable targets OG5_127100 All targets in OG5_127100
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase Get druggable targets OG5_127700 All targets in OG5_127700
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127100 All targets in OG5_127100
Toxoplasma gondii proteasome subunit beta type 1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma cruzi proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma congolense proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Giardia lamblia Proteasome subunit beta type 5 precursor Get druggable targets OG5_127100 All targets in OG5_127100
Trypanosoma cruzi 20S proteasome subunit Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania braziliensis proteasome beta 5 subunit, putative Get druggable targets OG5_127100 All targets in OG5_127100
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase Get druggable targets OG5_127100 All targets in OG5_127100
Neospora caninum Proteasome (Prosome, macropain) subunit, beta type, 1, related Get druggable targets OG5_127700 All targets in OG5_127700
Schistosoma japonicum ko:K02734 20S proteasome subunit beta 4, putative Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania donovani proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania mexicana proteasome beta 5 subunit, putative Get druggable targets OG5_127100 All targets in OG5_127100
Plasmodium yoelii proteasome subunit beta type 2 Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania donovani proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Leishmania donovani proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Echinococcus granulosus proteasome prosome macropain subunit beta Get druggable targets OG5_127700 All targets in OG5_127700
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta Get druggable targets OG5_127834 All targets in OG5_127834
Leishmania major proteasome beta 5 subunit, putative Get druggable targets OG5_127100 All targets in OG5_127100
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase Get druggable targets OG5_127834 All targets in OG5_127834
Plasmodium berghei proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Schistosoma japonicum ko:K02737 20S proteasome subunit beta 5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta Get druggable targets OG5_127700 All targets in OG5_127700
Trypanosoma cruzi proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Leishmania mexicana proteasome beta 2 subunit, putative Get druggable targets OG5_127700 All targets in OG5_127700
Trypanosoma cruzi proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Brugia malayi Proteasome A-type and B-type family protein Get druggable targets OG5_127100 All targets in OG5_127100
Cryptosporidium hominis 20S proteasome beta subunit D2 (PBD2) Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania braziliensis proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Plasmodium knowlesi proteasome subunit beta type-1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma congolense proteasome beta 6 subunit Get druggable targets OG5_127834 All targets in OG5_127834
Echinococcus granulosus proteasome prosome macropain subunit beta Get druggable targets OG5_127834 All targets in OG5_127834
Theileria parva proteasome subunit beta type 5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Trypanosoma cruzi proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Leishmania infantum proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Echinococcus granulosus proteasome prosome macropain Get druggable targets OG5_127100 All targets in OG5_127100
Babesia bovis proteasome epsilon subunit, putative Get druggable targets OG5_127100 All targets in OG5_127100
Trypanosoma brucei gambiense proteasome beta 2 subunit, putative,20S proteasome subunit Get druggable targets OG5_127700 All targets in OG5_127700
Trypanosoma brucei proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase Get druggable targets OG5_127700 All targets in OG5_127700
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum proteasome subunit alpha type-5, putative proteasome (prosome, macropain) subunit, beta type, 5 160 aa 148 aa 23.0 %
Plasmodium falciparum proteasome subunit beta type-5 proteasome (prosome, macropain) subunit, beta type, 1 241 aa 194 aa 27.3 %
Trypanosoma brucei proteasome alpha 3 subunit, putative proteasome (prosome, macropain) subunit, beta type, 2 176 aa 146 aa 26.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi ecdysteroid receptor 0.0157 0.3552 1
Brugia malayi Nuclear hormone receptor E75 0.0074 0.1071 0.2419
Leishmania major proteasome beta 5 subunit, putative 0.0099 0.1813 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0157 0.3552 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0157 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Echinococcus multilocularis FTZ F1 alpha 0.0157 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0083 0.1337 0.3764
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0077 0.1153 0.5699
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0099 0.1813 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.1337 0.3764
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0074 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0157 0.3552 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0157 0.3552 1
Brugia malayi nuclear hormone receptor 0.0074 0.1071 0.2419
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0099 0.1813 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.3552 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0157 0.3552 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0074 0.1071 0.3016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0157 0.3552 0.3552
Schistosoma mansoni nuclear receptor 0.0074 0.1071 0.3016
Plasmodium vivax proteasome subunit beta type-1, putative 0.0077 0.1153 0.5699
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0074 0.1071 0.1071
Brugia malayi Nuclear hormone receptor E75 0.0074 0.1071 0.2419
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0077 0.1153 0.1153
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0157 0.3552 1
Brugia malayi Nuclear hormone receptor-like 1 0.0083 0.1337 0.3231
Brugia malayi photoreceptor-specific nuclear receptor 0.0157 0.3552 1
Onchocerca volvulus Bile acid receptor homolog 0.0157 0.3552 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0083 0.1337 0.3764
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Schistosoma mansoni retinoic acid receptor RXR 0.0157 0.3552 1
Brugia malayi nuclear receptor NHR-88 0.0157 0.3552 1
Brugia malayi nuclear receptor RXR 0.0074 0.1071 0.2419
Schistosoma mansoni thyroid hormone receptor 0.0157 0.3552 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0083 0.1337 0.1337
Echinococcus granulosus Nuclear hormone receptor HR96 0.0074 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0157 0.3552 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0157 0.3552 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0157 0.3552 1
Brugia malayi conserved hypotetical protein 0.0074 0.1071 0.2419
Echinococcus granulosus ecdysone induced protein 78C 0.0157 0.3552 0.3552
Brugia malayi hypothetical protein 0.0074 0.1071 0.2419
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0074 0.1071 0.1071
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0048 0.0279 0.0787
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0099 0.1813 0.5104
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Loa Loa (eye worm) nuclear hormone receptor 0.0074 0.1071 0.3016
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0074 0.1071 0.1071
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0157 0.3552 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0157 0.3552 1
Mycobacterium ulcerans proteasome PrcB 0.0099 0.1813 0.5
Brugia malayi Proteasome A-type and B-type family protein 0.0099 0.1813 0.4686
Loa Loa (eye worm) steroid hormone receptor 0.0157 0.3552 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0157 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Brugia malayi Steroid receptor seven-up type 2 0.0157 0.3552 1
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0077 0.1153 0.5699
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0157 0.3552 1
Schistosoma mansoni nuclear receptor nhr-48 0.0074 0.1071 0.3016
Schistosoma mansoni nuclear hormone receptor 0.0074 0.1071 0.3016
Loa Loa (eye worm) nuclear receptor NHR-67 0.0074 0.1071 0.3016
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Echinococcus multilocularis nuclear receptor nhr 48 0.0074 0.1071 0.1071
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0157 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Loa Loa (eye worm) proteasome subunit beta type 1 0.0077 0.1153 0.3247
Schistosoma mansoni thyroid hormone receptor 0.0157 0.3552 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0083 0.1337 0.3764
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0157 0.3552 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0099 0.1813 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.3552 1
Schistosoma mansoni nuclear receptor 0.0074 0.1071 0.3016
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0099 0.1813 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0099 0.1813 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0157 0.3552 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0077 0.1153 0.5699
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0157 0.3552 0.3552
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0077 0.1153 0.5699
Toxoplasma gondii proteasome subunit beta type, putative 0.0099 0.1813 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1337 0.3764
Brugia malayi steroid hormone receptor 0.0157 0.3552 1
Loa Loa (eye worm) proteasome subunit beta type 2 0.0048 0.0279 0.0787
Brugia malayi tailless protein 0.0074 0.1071 0.2419
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0083 0.1337 0.1337
Echinococcus multilocularis ecdysone induced protein 78C 0.0157 0.3552 0.3552
Brugia malayi proteasome subunit beta type 1 0.0077 0.1153 0.267
Schistosoma mansoni coup transcription factor 0.0157 0.3552 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0157 0.3552 0.3552
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0157 0.3552 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0157 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0157 0.3552 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1337 0.3764
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0157 0.3552 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.3552 1
Brugia malayi Nuclear hormone receptor-like 1 0.0083 0.1337 0.3231
Brugia malayi ecdysone receptor 0.0074 0.1071 0.2419
Brugia malayi orphan nuclear receptor NR2E1 0.0074 0.1071 0.2419
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0099 0.1813 1
Brugia malayi nuclear receptor NHR-67 0.0074 0.1071 0.2419
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Plasmodium vivax proteasome subunit beta type-5, putative 0.0099 0.1813 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0157 0.3552 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0074 0.1071 0.3016
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0157 0.3552 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0074 0.1071 0.2419
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0077 0.1153 0.5699
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0099 0.1813 0.5104
Echinococcus multilocularis proteasome (prosome, macropain) 0.0099 0.1813 0.1813
Trypanosoma brucei proteasome beta 6 subunit 0.0077 0.1153 0.5699
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0099 0.1813 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0074 0.1071 0.1071
Brugia malayi nuclear hormone receptor family member odr-7 0.0074 0.1071 0.2419
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0374 1 1
Giardia lamblia Proteasome subunit beta type 1 0.0077 0.1153 0.5699
Loa Loa (eye worm) hypothetical protein 0.0157 0.3552 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0074 0.1071 0.1071
Schistosoma mansoni zinc finger protein 0.0074 0.1071 0.3016
Brugia malayi hypothetical protein 0.0074 0.1071 0.2419
Schistosoma mansoni nuclear hormone receptor 0.0074 0.1071 0.3016
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0077 0.1153 0.5699
Echinococcus multilocularis thyroid hormone receptor alpha 0.0157 0.3552 0.3552
Echinococcus granulosus Nuclear hormone receptor HR96 0.0074 0.1071 0.1071
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0077 0.1153 0.1153
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0099 0.1813 1
Brugia malayi hypothetical protein 0.0083 0.1337 0.3231
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0157 0.3552 0.3552
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0157 0.3552 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0048 0.0279 0.0279
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0074 0.1071 0.1071
Schistosoma mansoni RAR-like nuclear receptor 0.0157 0.3552 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.1337 0.3764
Plasmodium falciparum proteasome subunit beta type-5 0.0099 0.1813 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0074 0.1071 0.1071
Echinococcus granulosus nuclear receptor nhr 48 0.0074 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0157 0.3552 1
Brugia malayi nuclear receptor RXR 0.0083 0.1337 0.3231
Loa Loa (eye worm) hypothetical protein 0.0157 0.3552 1
Echinococcus granulosus proteasome prosome macropain 0.0099 0.1813 0.1813
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0157 0.3552 1
Brugia malayi Nuclear hormone receptor-like 1 0.0157 0.3552 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0157 0.3552 0.3552
Schistosoma mansoni steroid hormone receptor ad4bp 0.0157 0.3552 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0157 0.3552 1
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0077 0.1153 0.5699
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0157 0.3552 0.3552
Loa Loa (eye worm) hypothetical protein 0.0157 0.3552 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0077 0.1153 0.3247
Loa Loa (eye worm) hypothetical protein 0.0157 0.3552 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0074 0.1071 0.2419
Echinococcus granulosus FTZ F1 alpha 0.0157 0.3552 0.3552
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0157 0.3552 1
Brugia malayi nuclear hormone receptor 0.0157 0.3552 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0157 0.3552 1
Schistosoma mansoni nuclear hormone receptor 0.0157 0.3552 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0157 0.3552 0.3552
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0074 0.1071 0.3016
Loa Loa (eye worm) DR-78 0.0074 0.1071 0.3016
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0157 0.3552 0.3552
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0157 0.3552 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0157 0.3552 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1071 0.3016
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0157 0.3552 0.3552
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0048 0.0279 0.0787
Brugia malayi nuclear receptor NHR-88 0.0074 0.1071 0.2419
Brugia malayi hypothetical protein 0.0083 0.1337 0.3231
Onchocerca volvulus 0.0157 0.3552 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0157 0.3552 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0048 0.0279 0.0279
Onchocerca volvulus Protein ultraspiracle homolog 0.0157 0.3552 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0157 0.3552 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0083 0.1337 0.3764

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.8 nM Inhibition of 20S proteasome beta5 subunit in human erythrocytes using Ac-WLA-AMC as substrate by fluorescence assay ChEMBL. No reference
IC50 (binding) = 11 nM Inhibition of 26S proteasome beta5 subunit in human Calu6 cells using Suc-LLVY-aminoluciferin as substrate after 1hr by luminescence assay ChEMBL. No reference
IC50 (binding) = 22 nM Inhibition of NFkappaB in HEK293 cells incubated for 1 hr prior to TNF-alpha challenge measured after 3 hrs by luciferase reporter gene assay relative to control ChEMBL. No reference
IC50 (binding) > 10000 nM Inhibition of 20S proteasome beta1 subunit in human erythrocytes using Z-LLE-AMC as substrate by fluorescence assay ChEMBL. No reference
IC50 (binding) > 10000 nM Inhibition of 20S proteasome beta2 subunit in human erythrocytes using Ac-KQL-AMC as substrate by fluorescence assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.