Detailed information for compound 1853820

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 583.078 | Formula: C29H35ClN6O5
  • H donors: 4 H acceptors: 6 LogP: 3.12 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C[C@@H](C(=O)N[C@H](C(=O)NCc1ccccc1Cl)Cc1cccnc1)NC(=O)c1noc(c1)C)NCC(C)(C)C
  • InChi: 1S/C29H35ClN6O5/c1-18-12-24(36-41-18)28(40)35-23(14-25(37)33-17-29(2,3)4)27(39)34-22(13-19-8-7-11-31-15-19)26(38)32-16-20-9-5-6-10-21(20)30/h5-12,15,22-23H,13-14,16-17H2,1-4H3,(H,32,38)(H,33,37)(H,34,39)(H,35,40)/t22-,23-/m0/s1
  • InChiKey: XRASFZQHAQLDPI-GOTSBHOMSA-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 proteasome (prosome, macropain) subunit, beta type, 5 Starlite/ChEMBL No references
Homo sapiens proteasome (prosome, macropain) subunit, beta type, 1 Starlite/ChEMBL No references
Homo sapiens proteasome (prosome, macropain) subunit, beta type, 2 Starlite/ChEMBL No references
Homo sapiens v-rel avian reticuloendotheliosis viral oncogene homolog A No references
Homo sapiens nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 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
Candida albicans proteasome subunit Get druggable targets OG5_127100 All targets in OG5_127100
Leishmania braziliensis proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma brucei proteasome subunit beta type-5, putative 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
Babesia bovis proteasome epsilon subunit, putative 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
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 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
Theileria parva proteasome subunit beta type 2, putative 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
Trypanosoma cruzi proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma cruzi 20S proteasome subunit Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania mexicana proteasome beta 2 subunit, putative Get druggable targets OG5_127700 All targets in OG5_127700
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. Get druggable targets OG5_127100 All targets in OG5_127100
Brugia malayi proteasome subunit beta type 1 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
Giardia lamblia Proteasome subunit beta type 2 Get druggable targets OG5_127700 All targets in OG5_127700
Plasmodium falciparum proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Plasmodium yoelii proteosome PSMB5/8 protein 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
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127100 All targets in OG5_127100
Leishmania major proteasome beta 5 subunit, putative Get druggable targets OG5_127100 All targets in OG5_127100
Mycobacterium ulcerans proteasome PrcB Get druggable targets OG5_127100 All targets in OG5_127100
Plasmodium knowlesi proteasome subunit beta type-1, putative 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
Cryptosporidium hominis 20S proteasome beta subunit D2 (PBD2) Get druggable targets OG5_127700 All targets in OG5_127700
Trypanosoma cruzi proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 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 vivax proteasome subunit beta type-1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Neospora caninum hypothetical protein Get druggable targets OG5_127834 All targets in OG5_127834
Plasmodium knowlesi proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Theileria parva proteasome beat 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
Leishmania donovani 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
Giardia lamblia Proteasome subunit beta type 5 precursor Get druggable targets OG5_127100 All targets in OG5_127100
Schistosoma mansoni proteasome subunit beta 2 (T01 family) Get druggable targets OG5_127700 All targets in OG5_127700
Mycobacterium leprae proteasome (beta subunit) PrcB Get druggable targets OG5_127100 All targets in OG5_127100
Trypanosoma cruzi proteasome subunit beta type-5, putative 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
Echinococcus granulosus proteasome prosome macropain subunit beta 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 berghei proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Leishmania mexicana proteasome beta 5 subunit, putative Get druggable targets OG5_127100 All targets in OG5_127100
Trypanosoma congolense proteasome subunit beta type-5, putative Get druggable targets OG5_127100 All targets in OG5_127100
Leishmania infantum 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 major 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 5 precursor, 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
Plasmodium yoelii proteasome subunit beta type 1-related Get druggable targets OG5_127834 All targets in OG5_127834
Brugia malayi Proteasome A-type and B-type family protein Get druggable targets OG5_127100 All targets in OG5_127100
Cryptosporidium parvum Pre2p/proteasome subunit beta type 5; NTN hydrolase fold Get druggable targets OG5_127100 All targets in OG5_127100
Theileria parva proteasome subunit beta type 5, putative 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
Loa Loa (eye worm) proteasome A-type and B-type family protein Get druggable targets OG5_127100 All targets in OG5_127100
Babesia bovis proteasome beta 2 subunit, putative Get druggable targets OG5_127700 All targets in OG5_127700
Leishmania mexicana proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative Get druggable targets OG5_127834 All targets in OG5_127834
Plasmodium vivax 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
Leishmania donovani 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_127834 All targets in OG5_127834
Candida albicans proteasome subunit Get druggable targets OG5_127100 All targets in OG5_127100
Giardia lamblia Proteasome subunit beta type 1 Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma brucei gambiense proteasome beta 6 subunit,20S proteasome beta 6 subunit, putative 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
Plasmodium knowlesi proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Trypanosoma congolense proteasome beta 6 subunit Get druggable targets OG5_127834 All targets in OG5_127834
Echinococcus multilocularis proteasome (prosome, macropain) Get druggable targets OG5_127100 All targets in OG5_127100
Candida albicans proteasome subunit Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma cruzi proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Candida albicans endopeptidase required for mitosis and sporulation 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 infantum proteasome beta 2 subunit, putative Get druggable targets OG5_127700 All targets in OG5_127700
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 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
Cryptosporidium parvum 20S proteasome beta subunit D2 (PBD2) , 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
Entamoeba histolytica proteasome subunit beta type 1, 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
Schistosoma japonicum ko:K02734 20S proteasome subunit beta 4, putative Get druggable targets OG5_127700 All targets in OG5_127700
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase Get druggable targets OG5_127700 All targets in OG5_127700
Plasmodium vivax proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Toxoplasma gondii proteasome subunit beta type 2, putative 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
Loa Loa (eye worm) proteasome subunit beta type 2 Get druggable targets OG5_127700 All targets in OG5_127700
Trypanosoma brucei proteasome subunit beta type-2, putative Get druggable targets OG5_127700 All targets in OG5_127700
Babesia bovis proteasome A-type and B-type family protein Get druggable targets OG5_127834 All targets in OG5_127834
Schistosoma japonicum ko:K02737 20S proteasome subunit beta 5, 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
Neospora caninum Family T1, proteasome beta subunit, threonine peptidase, related Get druggable targets OG5_127100 All targets in OG5_127100
Cryptosporidium parvum proteasome subunit beta type 1, putative Get druggable targets OG5_127834 All targets in OG5_127834
Candida albicans endopeptidase required for mitosis and sporulation Get druggable targets OG5_127700 All targets in OG5_127700
Candida albicans proteasome subunit Get druggable targets OG5_127834 All targets in OG5_127834
Trypanosoma cruzi 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 major proteasome beta 2 subunit, putative 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 beta type-5 proteasome (prosome, macropain) subunit, beta type, 1 241 aa 194 aa 27.3 %
Plasmodium falciparum proteasome subunit alpha type-5, putative proteasome (prosome, macropain) subunit, beta type, 5 160 aa 148 aa 23.0 %
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 hypothetical protein 0.0016 0.0194 0.0008
Giardia lamblia Proteasome subunit beta type 2 0.0048 0.1425 0.3546
Loa Loa (eye worm) transcription factor SMAD2 0.0236 0.879 0.979
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0048 0.1425 0.3546
Echinococcus granulosus proteasome subunit alpha type 6 0.0019 0.032 0.032
Echinococcus multilocularis proteasome subunit alpha type 2 0.0019 0.032 0.032
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.0238 0.048
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0019 0.032 0.0647
Brugia malayi Calcitonin receptor-like protein seb-1 0.0148 0.5331 0.5854
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0077 0.2572 0.7224
Echinococcus granulosus smad 0.0016 0.0187 0.0187
Schistosoma mansoni smad 0.0016 0.0187 0.0378
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0019 0.032 0.0647
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0099 0.3437 0.3698
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0099 0.3437 1
Echinococcus granulosus GPCR family 2 0.0047 0.1385 0.1385
Plasmodium vivax proteasome subunit beta type-5, putative 0.0099 0.3437 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0048 0.1425 0.3546
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.1385 0.1363
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0019 0.032 0.032
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0543 0.0715
Brugia malayi proteasome subunit alpha type 4 0.0019 0.032 0.0152
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0077 0.2572 0.7224
Loa Loa (eye worm) proteasome subunit beta type 2 0.0048 0.1425 0.1409
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0543 0.0715
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.495 0.495
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0048 0.1425 0.1425
Schistosoma mansoni Smad4 0.0016 0.0187 0.0378
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0048 0.1425 0.3546
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0048 0.1425 0.3546
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0187 0.0378
Brugia malayi proteasome subunit alpha type 3 0.0019 0.032 0.0152
Trypanosoma brucei proteasome beta 6 subunit 0.0077 0.2572 0.7224
Plasmodium falciparum proteasome subunit beta type-5 0.0099 0.3437 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0148 0.5331 0.5854
Schistosoma mansoni smad1 5 8 and 0.0016 0.0187 0.0378
Schistosoma mansoni hypothetical protein 0.0047 0.1385 0.2798
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0048 0.1425 0.3546
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.495 0.495
Loa Loa (eye worm) hypothetical protein 0.0018 0.0243 0.0064
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.1385 0.1363
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0019 0.032 0.0152
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0019 0.032 0.0647
Echinococcus granulosus Ankyrin 0.0018 0.0243 0.0243
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0099 0.3437 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0048 0.1425 0.3546
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0243 0.0492
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0019 0.032 0.0152
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0048 0.1425 0.288
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0543 0.0715
Brugia malayi MH2 domain containing protein 0.0236 0.879 0.979
Echinococcus granulosus proteasome prosome macropain 0.0099 0.3437 0.3437
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0077 0.2572 0.7224
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0019 0.032 0.0647
Echinococcus granulosus netrin receptor unc 5 0.0017 0.0238 0.0238
Schistosoma mansoni netrin receptor unc5 0.0017 0.0238 0.048
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0019 0.032 0.0152
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0019 0.032 0.032
Brugia malayi hypothetical protein 0.0025 0.0543 0.0405
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.0238 0.0238
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0077 0.2572 0.2572
Brugia malayi Proteasome A-type and B-type family protein 0.0019 0.032 0.0152
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0187 0.0187
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0019 0.032 0.0647
Echinococcus granulosus Proteasome subunit alpha type 7 0.0019 0.032 0.032
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0019 0.032 0.032
Leishmania major proteasome beta 5 subunit, putative 0.0099 0.3437 1
Brugia malayi Pax transcription factor protein 2 0.0241 0.8974 1
Schistosoma mansoni hypothetical protein 0.0017 0.0238 0.048
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0077 0.2572 0.2572
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0019 0.032 0.032
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.495 0.495
Brugia malayi N-terminal motif family protein 0.0176 0.6463 0.7142
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0099 0.3437 1
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0019 0.032 0.032
Echinococcus granulosus proteasome subunit beta type 6 0.0019 0.032 0.032
Echinococcus multilocularis smad 0.0016 0.0187 0.0187
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0019 0.032 0.0152
Schistosoma mansoni hypothetical protein 0.0047 0.1385 0.2798
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0019 0.032 0.0647
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0019 0.032 0.0152
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.495 0.542
Echinococcus multilocularis proteasome (prosome, macropain) 0.0099 0.3437 0.3437
Echinococcus granulosus Smad4 0.0016 0.0187 0.0187
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0187 0.0187
Leishmania major proteasome beta 2 subunit, putative 0.0048 0.1425 0.3546
Loa Loa (eye worm) hypothetical protein 0.0047 0.1385 0.1363
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0048 0.1425 0.3546
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0238 0.0057
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.1385 0.1385
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0543 0.0715
Echinococcus granulosus proteasome subunit beta type 7 0.0019 0.032 0.032
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0099 0.3437 1
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0019 0.032 0.0647
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0019 0.032 0.0647
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.1385 0.1385
Toxoplasma gondii proteasome subunit beta type, putative 0.0099 0.3437 1
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0099 0.3437 1
Leishmania major hypothetical protein, conserved 0.0025 0.0543 0.0715
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0019 0.032 0.032
Echinococcus granulosus death domain containing protein 0.0017 0.0238 0.0238
Onchocerca volvulus 0.0241 0.8974 1
Brugia malayi Proteasome A-type and B-type family protein 0.0099 0.3437 0.3698
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0019 0.032 0.0152
Loa Loa (eye worm) hypothetical protein 0.0101 0.3505 0.3775
Schistosoma mansoni hypothetical protein 0.0101 0.3505 0.708
Brugia malayi proteasome subunit alpha type 2 0.0019 0.032 0.0152
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0099 0.3437 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.495 0.495
Echinococcus granulosus proteasome subunit beta t family 0.0019 0.032 0.032
Echinococcus multilocularis GPCR, family 2 0.0047 0.1385 0.1385
Echinococcus multilocularis Smad4 0.0016 0.0187 0.0187
Plasmodium vivax proteasome subunit beta type-1, putative 0.0077 0.2572 0.7224
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.1385 0.1385
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.1385 0.1385
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.495 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0543 0.0405
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0077 0.2572 0.7224
Brugia malayi Protein kinase domain containing protein 0.0017 0.0238 0.0057
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0099 0.3437 1
Echinococcus granulosus proteasome subunit alpha type 2 0.0019 0.032 0.032
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0077 0.2572 0.7224
Brugia malayi proteasome subunit beta type 3 0.0019 0.032 0.0152
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0187 0.0187
Brugia malayi Proteasome subunit alpha type 7-1 0.0019 0.032 0.0152
Brugia malayi Proteasome A-type and B-type family protein 0.0019 0.032 0.0152
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0077 0.2572 0.7224
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0019 0.032 0.0152
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0019 0.032 0.5
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0019 0.032 0.0647
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0019 0.032 0.032
Echinococcus multilocularis proteasome subunit beta type 6 0.0019 0.032 0.032
Brugia malayi proteasome subunit alpha type 6 0.0019 0.032 0.0152
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0048 0.1425 0.1425
Echinococcus multilocularis proteasome subunit alpha type 6 0.0019 0.032 0.032
Echinococcus granulosus Proteasome subunit alpha beta 0.0019 0.032 0.032
Echinococcus multilocularis proteasome subunit beta type 7 0.0019 0.032 0.032
Brugia malayi proteasome subunit beta type 1 0.0077 0.2572 0.2714
Brugia malayi proteasome subunit alpha type 1 0.0019 0.032 0.0152
Schistosoma mansoni hypothetical protein 0.0047 0.1385 0.2798
Schistosoma mansoni smad1 5 8 and 0.0016 0.0187 0.0378
Brugia malayi 20S proteasome alpha5 subunit 0.0019 0.032 0.0152
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0099 0.3437 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0543 0.0715
Loa Loa (eye worm) pax transcription factor protein 2 0.0241 0.8974 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0236 0.879 0.979
Giardia lamblia Proteasome subunit beta type 1 0.0077 0.2572 0.7224
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0019 0.032 0.032
Echinococcus multilocularis Ankyrin 0.0018 0.0243 0.0243
Schistosoma mansoni hypothetical protein 0.0047 0.1385 0.2798
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0019 0.032 0.0647
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.495 0.542
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0187 0.0187
Loa Loa (eye worm) proteasome subunit beta type 1 0.0077 0.2572 0.2714
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0267 1 1
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0019 0.032 0.0647
Loa Loa (eye worm) proteasome subunit beta type 3 0.0019 0.032 0.0152
Brugia malayi Proteasome A-type and B-type family protein 0.0019 0.032 0.0152
Brugia malayi Death domain containing protein 0.0017 0.0238 0.0057
Brugia malayi Latrophilin receptor protein 2 0.0047 0.1385 0.1363
Echinococcus granulosus subfamily T1A non peptidase ue 0.0019 0.032 0.032
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0019 0.032 0.0647
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0019 0.032 0.0152
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0543 0.0715
Trypanosoma cruzi 20S proteasome subunit 0.0048 0.1425 0.3546
Brugia malayi Proteasome subunit alpha type 1 0.0019 0.032 0.0152
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.6463 0.7126
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0019 0.032 0.032
Onchocerca volvulus Notchless protein homolog 0.0019 0.032 0.0095
Brugia malayi Uncoordinated protein 44 0.0017 0.0238 0.0057
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0077 0.2572 0.5196
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0019 0.032 0.032
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.3505 0.3775
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.495 1
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0019 0.032 0.032
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.0238 0.0238
Plasmodium vivax proteasome subunit beta type-2, putative 0.0048 0.1425 0.3546
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0019 0.032 0.0647
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0148 0.5331 0.5854
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0099 0.3437 0.6944
Loa Loa (eye worm) PAS-3 protein 0.0019 0.032 0.0152
Schistosoma mansoni smad1 5 8 and 0.0016 0.0187 0.0378
Loa Loa (eye worm) hypothetical protein 0.0017 0.0238 0.0057
Brugia malayi proteasome subunit beta type 2 0.0048 0.1425 0.1409
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0019 0.032 0.0647
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0019 0.032 0.032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.495 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.6463 0.7142
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0543 0.0715
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0238 0.0057
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.0238 0.0238
Loa Loa (eye worm) hypothetical protein 0.0148 0.5331 0.5854
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0019 0.032 0.0152
Mycobacterium ulcerans proteasome PrcB 0.0099 0.3437 1
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0077 0.2572 0.7224
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0019 0.032 0.0647
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0048 0.1425 0.288

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 22.6 nM Inhibition of 20S proteasome beta5 subunit in human erythrocytes using Ac-WLA-AMC as substrate by fluorescence assay ChEMBL. No reference
IC50 (binding) = 140 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) = 690 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) > 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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