Detailed information for compound 156904

Basic information

Technical information
  • TDR Targets ID: 156904
  • Name: 1-benzyl-7-methyl-4-(2-methylpropyl)-6H-imida zo[4,5-e][1,4]diazepine-5,8-dione
  • MW: 326.393 | Formula: C18H22N4O2
  • H donors: 0 H acceptors: 3 LogP: 2.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CN1C(=O)CN(C(=O)c2c1ncn2Cc1ccccc1)C)C
  • InChi: 1S/C18H22N4O2/c1-13(2)9-22-15(23)11-20(3)18(24)16-17(22)19-12-21(16)10-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3
  • InChiKey: QUFXKEUIDGLHOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-benzyl-4-isobutyl-7-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
  • 7-methyl-4-(2-methylpropyl)-1-(phenylmethyl)-6H-imidazo[4,5-e][1,4]diazepine-5,8-dione
  • 1-benzyl-4-isobutyl-7-methyl-6H-imidazo[4,5-e][1,4]diazepine-5,8-quinone
  • 7-methyl-4-(2-methylpropyl)-1-(phenylmethyl)-6H-imidazo[5,4-f][1,4]diazepine-5,8-dione
  • 4-isobutyl-7-methyl-1-(phenylmethyl)-6H-imidazo[5,4-f][1,4]diazepine-5,8-dione
  • 1-(benzyl)-4-isobutyl-7-methyl-6H-imidazo[5,4-f][1,4]diazepine-5,8-quinone
  • PDSP1_001150
  • PDSP2_001134

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Adenosine A1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.9 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Echinococcus multilocularis neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Echinococcus granulosus neuropeptide receptor Adenosine A1 receptor   326 aa 299 aa 22.4 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 311 aa 21.2 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 303 aa 24.1 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 327 aa 24.8 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Adenosine A1 receptor   326 aa 295 aa 28.1 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 300 aa 24.3 %
Echinococcus granulosus thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 23.1 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 315 aa 21.6 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 306 aa 21.2 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 274 aa 22.6 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 323 aa 20.7 %
Schistosoma mansoni dro/myosuppressin receptor Adenosine A1 receptor   326 aa 326 aa 22.1 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 286 aa 26.9 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 317 aa 24.6 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 304 aa 21.1 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 305 aa 21.0 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Adenosine A1 receptor   326 aa 321 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0102 0.1332 0.1278
Plasmodium falciparum proteasome subunit alpha type-2, putative 0.0102 0.1332 0.1278
Plasmodium vivax proteasome subunit beta type-6, putative 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome beta 2 subunit, putative 0.0102 0.1332 0.1278
Toxoplasma gondii peptidase, T1 family protein 0.0102 0.1332 0.1278
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0311 0.4406 0.4371
Leishmania major proteasome beta 5 subunit, putative 0.0691 1 1
Toxoplasma gondii proteasome subunit alpha1, putative 0.0102 0.1332 0.1278
Echinococcus granulosus proteasome subunit beta type 6 0.0102 0.1332 0.1278
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0311 0.4406 0.4371
Brugia malayi MH2 domain containing protein 0.0115 0.1528 0.1528
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0502 0.0443
Plasmodium vivax proteasome subunit alpha type-4, putative 0.0102 0.1332 0.1278
Leishmania major proteasome alpha 2 subunit, putative 0.0102 0.1332 0.1278
Toxoplasma gondii proteasome subunit alpha2, protease of the acylase family and NTN hydrolase fold, putative 0.0102 0.1332 0.1278
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0311 0.4406 0.4371
Trypanosoma brucei proteasome beta 7 subunit 0.0102 0.1332 0.1278
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0691 1 1
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0102 0.1332 0.1278
Giardia lamblia Proteasome subunit beta type 1 0.0157 0.2136 0.2087
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0157 0.2136 0.2087
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0157 0.2136 0.2087
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.0102 0.1332 0.1278
Brugia malayi Thioredoxin reductase 0.0046 0.0502 0.0502
Echinococcus multilocularis proteasome (prosome, macropain) 0.0691 1 1
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0691 1 1
Treponema pallidum NADH oxidase 0.0016 0.0062 0.5
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0102 0.1332 0.1278
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.1536 0.1483
Leishmania major proteasome alpha 3 subunit, putative 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.0102 0.1332 0.1278
Toxoplasma gondii proteasome subunit beta type, putative 0.0691 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.0691 1 1
Trypanosoma brucei proteasome alpha 3 subunit, putative 0.0102 0.1332 0.1278
Giardia lamblia 20S proteasome alpha subunit 6 0.0102 0.1332 0.1278
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0102 0.1332 0.0874
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0102 0.1332 0.1278
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0102 0.1332 0.1278
Echinococcus multilocularis proteasome subunit alpha type 2 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.0102 0.1332 0.1278
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0062 0.0062
Trypanosoma cruzi proteasome beta-1 subunit, putative 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0102 0.1332 0.1278
Trypanosoma brucei proteasome alpha 7 subunit 0.0102 0.1332 0.1278
Leishmania major proteasome beta-1 subunit, putative 0.0102 0.1332 0.1278
Leishmania major proteasome beta 3 subunit, putative 0.0102 0.1332 0.1278
Leishmania major proteasome beta 7 subunit, putative 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0102 0.1332 0.1278
Leishmania major proteasome beta 2 subunit, putative 0.0102 0.1332 0.1278
Plasmodium falciparum proteasome subunit alpha type-5, putative 0.0102 0.1332 0.1278
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0102 0.1332 0.0874
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0102 0.1332 0.1278
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0102 0.1332 0.1278
Echinococcus granulosus proteasome subunit alpha type 2 0.0102 0.1332 0.1278
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0102 0.1332 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0691 1 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0157 0.2136 0.2087
Plasmodium vivax proteasome subunit beta type-1, putative 0.0157 0.2136 0.2087
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0102 0.1332 0.1278
Trypanosoma brucei Proteasome subunit A N-terminal signature/Proteasome subunit, putative 0.0102 0.1332 0.1278
Onchocerca volvulus Notchless protein homolog 0.0102 0.1332 0.5
Echinococcus granulosus Proteasome subunit alpha beta 0.0102 0.1332 0.1278
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0311 0.4406 0.4371
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0102 0.1332 0.1278
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0102 0.1332 0.1278
Plasmodium vivax proteasome subunit alpha type-6, putative 0.0102 0.1332 0.1278
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.0311 0.4406 0.3546
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0157 0.2136 0.2087
Leishmania major trypanothione reductase 0.0046 0.0502 0.0443
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0102 0.1332 0.1278
Plasmodium vivax proteasome subunit alpha type-1, putative 0.0102 0.1332 0.1278
Trypanosoma brucei proteasome beta 6 subunit 0.0157 0.2136 0.2087
Echinococcus granulosus proteasome prosome macropain 0.0691 1 1
Toxoplasma gondii heat shock protein hslv, putative 0.0102 0.1332 0.1278
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0102 0.1332 0.1278
Giardia lamblia 20S proteasome alpha subunit 7 0.0102 0.1332 0.1278
Toxoplasma gondii proteasome subunit alpha type 5-2, putative 0.0102 0.1332 0.1278
Toxoplasma gondii thioredoxin reductase 0.0046 0.0502 0.0443
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.0102 0.1332 0.1278
Giardia lamblia 20S proteasome alpha subunit 5 0.0102 0.1332 0.1278
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0102 0.1332 0.1278
Mycobacterium ulcerans proteasome PrcB 0.0691 1 1
Toxoplasma gondii proteasome subunit beta type 7 precursor, putative 0.0102 0.1332 0.1278
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0102 0.1332 0.1278
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.1536 0.0234
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0102 0.1332 0.1278
Brugia malayi 20S proteasome alpha5 subunit 0.0102 0.1332 0.1332
Trypanosoma cruzi proteasome beta 7 subunit, putative 0.0102 0.1332 0.1278
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0157 0.2136 0.2087
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1364 0.131
Trypanosoma brucei proteasome alpha 2 subunit, putative 0.0102 0.1332 0.1278
Loa Loa (eye worm) proteasome subunit beta type 1 0.0157 0.2136 0.172
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0502 0.0443
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0502 0.0443
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0311 0.4406 0.4371
Trypanosoma brucei proteasome beta 2 subunit, putative 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0102 0.1332 0.1278
Brugia malayi proteasome subunit alpha type 4 0.0102 0.1332 0.1332
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0691 1 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0311 0.4406 0.4371
Brugia malayi Proteasome A-type and B-type family protein 0.0102 0.1332 0.1332
Trypanosoma cruzi proteasome subunit alpha type-1, putative 0.0102 0.1332 0.1278
Brugia malayi Proteasome A-type and B-type family protein 0.0102 0.1332 0.1332
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0502 0.0443
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0102 0.1332 0.1278
Trypanosoma cruzi ATP-dependent protease subunit HslV, putative 0.0102 0.1332 0.1278
Leishmania major hs1vu complex proteolytic subunit-like,hs1vu complex proteolytic subunit-like, threonine peptidase, Clan T(1), family T1B 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome beta 3 subunit, putative 0.0102 0.1332 0.1278
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome alpha 2 subunit, putative 0.0102 0.1332 0.1278
Leishmania major proteasome alpha 1 subunit, putative 0.0102 0.1332 0.1278
Giardia lamblia Proteasome subunit beta type 4 precursor 0.0102 0.1332 0.1278
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0102 0.1332 0.1278
Trypanosoma cruzi 20S proteasome subunit 0.0311 0.4406 0.4371
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0102 0.1332 0.1278
Trypanosoma brucei proteasome subunit alpha type-5, putative 0.0102 0.1332 0.1278
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.1536 0.1483
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1364 0.131
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0102 0.1332 0.0874
Plasmodium falciparum proteasome subunit beta type-5 0.0691 1 1
Plasmodium vivax proteasome subunit beta type-4, putative 0.0102 0.1332 0.1278
Leishmania major proteasome alpha 5 subunit, putative,20S proteasome subunit alpha 5, (putative) 0.0102 0.1332 0.1278
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0102 0.1332 0.1278
Giardia lamblia Proteasome subunit beta type 7 precursor 0.0102 0.1332 0.1278
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0691 1 1
Trypanosoma brucei proteasome alpha 1 subunit, putative 0.0102 0.1332 0.1278
Brugia malayi proteasome subunit alpha type 3 0.0102 0.1332 0.1332
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0102 0.1332 0.1278
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0102 0.1332 0.1278
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0062 0.5
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0691 1 1
Plasmodium vivax proteasome subunit alpha type-5, putative 0.0102 0.1332 0.1278
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0102 0.1332 0.1278
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1528 0.1081
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0691 1 1
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0102 0.1332 0.1278
Plasmodium falciparum proteasome subunit alpha type-3, putative 0.0102 0.1332 0.1278
Echinococcus multilocularis proteasome subunit alpha type 6 0.0102 0.1332 0.1278
Leishmania major proteasome alpha 7 subunit, putative 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0311 0.4406 0.4371
Trypanosoma brucei ATP-dependent protease subunit HslV 0.0102 0.1332 0.1278
Brugia malayi proteasome subunit alpha type 1 0.0102 0.1332 0.1332
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0157 0.2136 0.0927
Plasmodium falciparum proteasome subunit alpha type-4, putative 0.0102 0.1332 0.1278
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0102 0.1332 0.1278
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0102 0.1332 0.1278
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0102 0.1332 0.1278
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0157 0.2136 0.2087
Plasmodium vivax proteasome subunit alpha type-3, putative 0.0102 0.1332 0.1278
Plasmodium vivax proteasome subunit alpha type-7, putative 0.0102 0.1332 0.1278
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0102 0.1332 0.1278
Leishmania major proteasome beta 2 subunit, putative 0.0311 0.4406 0.4371
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0102 0.1332 0.1278
Plasmodium falciparum proteasome subunit beta type-6, putative 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0157 0.2136 0.2087
Echinococcus multilocularis proteasome subunit beta type 6 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0102 0.1332 0.1278
Brugia malayi proteasome subunit beta type 3 0.0102 0.1332 0.1332
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1364 0.131
Plasmodium falciparum proteasome subunit beta type-7, putative 0.0102 0.1332 0.1278
Trypanosoma brucei proteasome beta 3 subunit, putative 0.0102 0.1332 0.1278
Plasmodium vivax proteasome subunit beta type-2, putative 0.0311 0.4406 0.4371
Trypanosoma cruzi hslVU complex proteolytic subunit, threonine peptidase, Clan T(1), family T1B 0.0102 0.1332 0.1278
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0102 0.1332 0.1278
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0311 0.4406 0.4371
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0102 0.1332 0.1278
Giardia lamblia Proteasome subunit beta type 9 precursor 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome subunit alpha type-5, putative 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0157 0.2136 0.2087
Plasmodium falciparum proteasome subunit beta type-4 0.0102 0.1332 0.1278
Mycobacterium tuberculosis Probable reductase 0.0104 0.1364 0.131
Plasmodium falciparum proteasome subunit alpha type-1, putative 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome alpha 7 subunit, putative 0.0102 0.1332 0.1278
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0102 0.1332 0.0874
Trypanosoma cruzi proteasome alpha 3 subunit, putative 0.0102 0.1332 0.1278
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0102 0.1332 0.1278
Brugia malayi Proteasome subunit alpha type 1 0.0102 0.1332 0.1332
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.1364 0.0037
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0102 0.1332 0.1278
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0502 0.0443
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0102 0.1332 0.1278
Giardia lamblia 20S proteasome alpha subunit 1 0.0102 0.1332 0.1278
Echinococcus granulosus proteasome subunit alpha type 6 0.0102 0.1332 0.1278
Plasmodium falciparum proteasome subunit beta type-2, putative 0.0311 0.4406 0.4371
Trichomonas vaginalis Family T1, proteasome alpha subunit, threonine peptidase 0.0102 0.1332 0.1278
Leishmania major 20s proteasome beta 7 subunit, (putative) 0.0102 0.1332 0.1278
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0102 0.1332 0.1278
Echinococcus granulosus subfamily T1A non peptidase ue 0.0102 0.1332 0.1278
Echinococcus granulosus proteasome subunit beta t family 0.0102 0.1332 0.1278
Loa Loa (eye worm) proteasome subunit beta type 2 0.0311 0.4406 0.411
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0102 0.1332 0.1278
Loa Loa (eye worm) PAS-3 protein 0.0102 0.1332 0.0874
Toxoplasma gondii proteasome beta subunit 0.0102 0.1332 0.1278
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0691 1 1
Toxoplasma gondii proteasome subunit alpha type, putative 0.0102 0.1332 0.1278
Plasmodium falciparum ATP-dependent protease subunit ClpQ 0.0102 0.1332 0.1278
Toxoplasma gondii proteasome subunit alpha type 1, putative 0.0102 0.1332 0.1278
Brugia malayi proteasome subunit beta type 1 0.0157 0.2136 0.2136
Echinococcus granulosus Proteasome subunit alpha type 7 0.0102 0.1332 0.1278
Plasmodium vivax proteasome subunit beta type-7, putative 0.0102 0.1332 0.1278
Brugia malayi proteasome subunit alpha type 6 0.0102 0.1332 0.1332
Brugia malayi proteasome subunit alpha type 2 0.0102 0.1332 0.1332
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1364 0.131
Plasmodium vivax glutathione reductase, putative 0.0046 0.0502 0.0443
Giardia lamblia Proteasome subunit beta type 2 0.0311 0.4406 0.4371
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0691 1 1
Plasmodium vivax proteasome subunit beta type-3, putative 0.0102 0.1332 0.1278
Giardia lamblia Proteasome subunit beta type 3 0.0102 0.1332 0.1278
Trypanosoma brucei trypanothione reductase 0.0046 0.0502 0.0443
Giardia lamblia 20S proteasome alpha subunit 2 0.0102 0.1332 0.1278
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0157 0.2136 0.2087
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1528 0.1081
Plasmodium falciparum proteasome subunit beta type-3, putative 0.0102 0.1332 0.1278
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0311 0.4406 0.4371
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome alpha 1 subunit, putative 0.0102 0.1332 0.1278
Brugia malayi proteasome subunit beta type 2 0.0311 0.4406 0.4406
Echinococcus granulosus proteasome subunit beta type 7 0.0102 0.1332 0.1278
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1364 0.131
Trypanosoma brucei proteasome beta-1 subunit, putative 0.0102 0.1332 0.1278
Plasmodium vivax proteasome subunit alpha type-2, putative 0.0102 0.1332 0.1278
Brugia malayi Proteasome A-type and B-type family protein 0.0102 0.1332 0.1332
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.1536 0.1483
Plasmodium falciparum proteasome subunit alpha type-7, putative 0.0102 0.1332 0.1278
Mycobacterium ulcerans proteasome PrcA 0.0102 0.1332 0.1278
Giardia lamblia 20S proteasome alpha subunit 3 0.0102 0.1332 0.1278
Toxoplasma gondii 20S proteasome subunit beta 7, putative 0.0102 0.1332 0.1278
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0102 0.1332 0.0874
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0102 0.1332 0.0874
Brugia malayi Proteasome subunit alpha type 7-1 0.0102 0.1332 0.1332
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0102 0.1332 0.0874
Leishmania major proteasome alpha 1 subunit, putative 0.0102 0.1332 0.1278
Loa Loa (eye worm) proteasome subunit beta type 3 0.0102 0.1332 0.0874
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0102 0.1332 0.1278
Plasmodium falciparum thioredoxin reductase 0.0046 0.0502 0.0443
Echinococcus multilocularis proteasome subunit beta type 7 0.0102 0.1332 0.1278
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0691 1 1
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0102 0.1332 0.0874
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0102 0.1332 0.0874
Brugia malayi glutathione reductase 0.0046 0.0502 0.0502
Toxoplasma gondii proteasome subunit 0.0102 0.1332 0.1278
Plasmodium falciparum glutathione reductase 0.0046 0.0502 0.0443
Plasmodium vivax ATP-dependent protease subunit ClpQ, putative 0.0102 0.1332 0.1278
Plasmodium falciparum proteasome subunit alpha type-6, putative 0.0102 0.1332 0.1278
Leishmania major proteasome alpha 7 subunit, putative 0.0102 0.1332 0.1278
Trypanosoma brucei proteasome alpha 7 subunit, putative 0.0102 0.1332 0.1278
Giardia lamblia 20S proteasome alpha subunit 4 0.0102 0.1332 0.1278

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 11.3 uM Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand ChEMBL. 2213834
Ki (binding) = 11.3 uM Binding affinity for Adenosine A1 receptor from rat brain using [3H]-PIA as radioligand ChEMBL. 2213834
Ki (functional) = 116 uM Antagonism of N-ethylcarboxamido adenosine-stimulated adenylate cyclase associated with stimulation of Adenosine A2 receptor of rat PC12 membranes ChEMBL. 2213834
Ki (functional) = 116 uM Antagonism of N-ethylcarboxamido adenosine-stimulated adenylate cyclase associated with stimulation of Adenosine A2 receptor of rat PC12 membranes ChEMBL. 2213834
Ki (binding) = 140 uM Binding affinity for Adenosine A2 receptor from rat striatum using [3H]-NECA as radioligand ChEMBL. 2213834
Ki (binding) = 140 uM Binding affinity for Adenosine A2 receptor from rat striatum using [3H]-NECA as radioligand ChEMBL. 2213834

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

1 literature reference was collected for this gene.

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