Detailed information for compound 1356933

Basic information

Technical information
  • TDR Targets ID: 1356933
  • Name: (4-methoxyphenyl)-[4-(2-methylpropyl)-4,9-dia zaspiro[5.5]undecan-9-yl]methanone
  • MW: 344.491 | Formula: C21H32N2O2
  • H donors: 0 H acceptors: 1 LogP: 3.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)N1CCC2(CC1)CCCN(C2)CC(C)C
  • InChi: 1S/C21H32N2O2/c1-17(2)15-22-12-4-9-21(16-22)10-13-23(14-11-21)20(24)18-5-7-19(25-3)8-6-18/h5-8,17H,4,9-16H2,1-3H3
  • InChiKey: WFUDWLQWQHYAJC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4-isobutyl-4,9-diazaspiro[5.5]undecan-9-yl)-(4-methoxyphenyl)methanone
  • NCGC00012944
  • PCOP-981919

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Smad1 0.0019 0.0086 0.0034
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0407 0.134
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.8931
Loa Loa (eye worm) hypothetical protein 0.0053 0.0511 0.0794
Treponema pallidum pyruvate oxidoreductase 0.0084 0.089 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0577 0.6946 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0019 0.0086 0.0086
Brugia malayi MH2 domain containing protein 0.0019 0.0086 0.0034
Loa Loa (eye worm) MH2 domain-containing protein 0.0272 0.3193 0.5808
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0407 0.0688
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0186 0.0646
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0331 0.3921 0.7168
Schistosoma mansoni Smad4 0.0019 0.0086 0.0145
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0809 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0051 0.0482 0.0437
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0138 0.011
Brugia malayi MH1 domain containing protein 0.0019 0.0086 0.0034
Brugia malayi glutaminase DH11.1 0.0289 0.3413 0.4868
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0809 0.1488
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0556 0.0556
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0187 0.2149 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0267 0.0267
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Loa Loa (eye worm) hypothetical protein 0.0454 0.5436 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0809 0.1352
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0482 0.0482
Loa Loa (eye worm) hypothetical protein 0.0454 0.5436 1
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.0986
Schistosoma mansoni hypothetical protein 0.0079 0.0825 0.1394
Loa Loa (eye worm) transcription factor SMAD2 0.0272 0.3193 0.5808
Trichomonas vaginalis set domain proteins, putative 0.0264 0.3097 0.9034
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0809 0.0809
Trichomonas vaginalis glutaminase, putative 0.0289 0.3413 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0809 0.1778
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0556 0.0717
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0267 0.0451
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0051 0.0482 0.0505
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0407 0.0823
Mycobacterium tuberculosis Probable oxidoreductase (beta subunit) 0.0084 0.089 0.1105
Echinococcus granulosus muscleblind protein 0.0454 0.5436 1
Schistosoma mansoni smad1 5 8 and 0.0019 0.0086 0.0145
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0174 0.0181
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0187 0.2149 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0019 0.0086 0.0145
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.1778
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0577 0.6946 1
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0174 0.0181
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0267 0.0451
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0138 0.0138
Mycobacterium ulcerans hypothetical protein 0.0577 0.6946 1
Onchocerca volvulus 0.0264 0.3097 1
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0174 0.0541
Brugia malayi Probable ClpP-like protease 0.0077 0.0809 0.1085
Loa Loa (eye worm) glutaminase 0.0289 0.3413 0.6218
Loa Loa (eye worm) glutaminase 2 0.0289 0.3413 0.6218
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.0556 0.1108
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0174 0.0096
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0482 0.0886
Schistosoma mansoni smad 0.0019 0.0086 0.0145
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.2703 0.4892
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0267 0.0451
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0556 0.1023
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0138 0.0253
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0174 0.0096
Schistosoma mansoni glutaminase 0.0289 0.3413 0.577
Loa Loa (eye worm) ILVBL protein 0.0349 0.415 0.7596
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0825 0.1517
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.0986
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0809 0.1368
Mycobacterium ulcerans glutaminase 0.0289 0.3413 0.4811
Schistosoma mansoni ap endonuclease 0.0023 0.0138 0.0233
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0138 0.0097
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0577 0.6946 1
Schistosoma mansoni smad1 5 8 and 0.0019 0.0086 0.0145
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Schistosoma mansoni ap endonuclease 0.0023 0.0138 0.0233
Echinococcus granulosus tumor protein p63 0.0363 0.4314 0.7936
Schistosoma mansoni acetolactate synthase 0.0493 0.5915 1
Onchocerca volvulus 0.0053 0.0511 0.0863
Mycobacterium leprae PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH 0.0103 0.1118 0.1379
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0407 0.0407
Echinococcus multilocularis Smad4 0.0019 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0026 0.0174 0.0165
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0407 0.134
Brugia malayi Pre-SET motif family protein 0.0232 0.2703 0.3837
Echinococcus multilocularis smad 0.0019 0.0086 0.0086
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0556 0.0614
Echinococcus granulosus TGF beta signal transducer SmadC 0.0019 0.0086 0.0158
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.033 0.3914 0.5547
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0577 0.6946 1
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0084 0.089 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0174 0.0181
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0556 0.094
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0407 0.0823
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0187 0.2149 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0051 0.0482 0.0505
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0577 0.6946 1
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0577 0.6946 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0407 0.0749
Mycobacterium ulcerans 2-oxoglutarate ferredoxin oxidoreductase subunit beta 0.0084 0.089 0.1105
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0407 0.3584
Echinococcus granulosus Smad4 0.0019 0.0086 0.0158
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0407 0.0688
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0252 0.0463
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0027 0.0186 0.0129
Echinococcus granulosus smad 0.0019 0.0086 0.0158
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0174 0.0096
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0267 0.1923
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0407 0.0501
Schistosoma mansoni transcription factor LCR-F1 0.0079 0.0825 0.1394
Leishmania major hypothetical protein, conserved 0.0026 0.0174 0.0096
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Brugia malayi Pre-SET motif family protein 0.0033 0.0267 0.0297
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0267 0.0267
Toxoplasma gondii hypothetical protein 0.0027 0.0186 0.0723
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0407 0.134
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Plasmodium falciparum acyl-CoA synthetase 0.033 0.3914 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0809 0.0922
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0509 0.0791
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0247 0.289 0.4043
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0407 0.0407
Mycobacterium ulcerans acetolactate synthase 0.033 0.3914 0.5547
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.033 0.3914 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0187 0.2149 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0407 0.0749
Brugia malayi Muscleblind-like protein 0.0454 0.5436 0.7807
Brugia malayi hypothetical protein 0.0026 0.0174 0.0162
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0187 0.2149 0.5327
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0809 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 1
Mycobacterium ulcerans hypothetical protein 0.0187 0.2149 0.2955
Schistosoma mansoni smad1 5 8 and 0.0019 0.0086 0.0145
Giardia lamblia Pyruvate-flavodoxin oxidoreductase 0.0084 0.089 1
Brugia malayi hypothetical protein 0.0079 0.0825 0.1108
Echinococcus multilocularis muscleblind protein 1 0.0454 0.5436 0.5436
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0407 0.0749
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0825 0.0825
Echinococcus granulosus mothers against decapentaplegic 5 0.0019 0.0086 0.0158
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0407 0.3584
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0577 0.6946 1
Plasmodium vivax acyl-CoA synthetase, putative 0.033 0.3914 1
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0511 0.0864
Echinococcus multilocularis muscleblind protein 0.0454 0.5436 0.5436
Brugia malayi MH2 domain containing protein 0.0272 0.3193 0.4549
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0407 0.0823
Echinococcus multilocularis tumor protein p63 0.0363 0.4314 0.4314
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.033 0.3914 0.5547
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0267 0.0451
Brugia malayi MH1 domain containing protein 0.0019 0.0086 0.0034
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.5
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0103 0.1118 0.1441
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0267 0.0491
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0556 0.0614
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0019 0.0086 0.0086
Brugia malayi MH2 domain containing protein 0.0019 0.0086 0.0034
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0556 0.0614
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0407 0.0714
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0407 0.0407
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.5
Schistosoma mansoni acetolactate synthase 0.0493 0.5915 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0267 0.0338
Plasmodium vivax SET domain protein, putative 0.0033 0.0267 0.0342
Loa Loa (eye worm) hypothetical protein 0.0045 0.0407 0.06
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0027 0.0186 0.0129

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 25.11886432 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] 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.

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