Detailed information for compound 1342577

Basic information

Technical information
  • TDR Targets ID: 1342577
  • Name: (4-methoxyphenyl)-[4-(phenylmethyl)-4,9-diaza spiro[5.5]undecan-9-yl]methanone
  • MW: 378.507 | Formula: C24H30N2O2
  • H donors: 0 H acceptors: 1 LogP: 3.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)N1CCC2(CC1)CCCN(C2)Cc1ccccc1
  • InChi: 1S/C24H30N2O2/c1-28-22-10-8-21(9-11-22)23(27)26-16-13-24(14-17-26)12-5-15-25(19-24)18-20-6-3-2-4-7-20/h2-4,6-11H,5,12-19H2,1H3
  • InChiKey: AUTHVWTYZHDMLG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(benzyl)-4,9-diazaspiro[5.5]undecan-9-yl]-(4-methoxyphenyl)methanone
  • PCOP-422023
  • NCGC00011281

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
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 muscleblind protein 0.0454 0.5436 0.5436
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
Plasmodium vivax acyl-CoA synthetase, putative 0.033 0.3914 1
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0577 0.6946 1
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0511 0.0864
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0079 0.0825 0.0825
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0407 0.0749
Echinococcus multilocularis muscleblind protein 1 0.0454 0.5436 0.5436
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
Mycobacterium ulcerans hypothetical protein 0.0187 0.2149 0.2955
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
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
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
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0019 0.0086 0.0086
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0407 0.0714
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0556 0.0614
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.5
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0407 0.0407
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0267 0.0491
Mycobacterium ulcerans 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase 0.0103 0.1118 0.1441
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0267 0.0451
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.5
Brugia malayi MH1 domain containing protein 0.0019 0.0086 0.0034
Echinococcus multilocularis tumor protein p63 0.0363 0.4314 0.4314
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.033 0.3914 0.5547
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
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
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
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0407 0.3584
Echinococcus granulosus Smad4 0.0019 0.0086 0.0158
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
Mycobacterium ulcerans 2-oxoglutarate ferredoxin oxidoreductase subunit beta 0.0084 0.089 0.1105
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0407 0.0749
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0556 0.094
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0407 0.0823
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
Entamoeba histolytica pyruvate:ferredoxin oxidoreductase 0.0084 0.089 1
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0577 0.6946 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0174 0.0181
Echinococcus multilocularis smad 0.0019 0.0086 0.0086
Brugia malayi Muscleblind-like protein 0.0454 0.5436 0.7807
Brugia malayi hypothetical protein 0.0026 0.0174 0.0162
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0809 1
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0187 0.2149 0.5327
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 1
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
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
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0809 0.0922
Plasmodium falciparum acyl-CoA synthetase 0.033 0.3914 1
Toxoplasma gondii hypothetical protein 0.0027 0.0186 0.0723
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0267 0.0267
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0407 0.134
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
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.2703 0.4892
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0482 0.0886
Schistosoma mansoni smad 0.0019 0.0086 0.0145
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0174 0.0096
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
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0174 0.0541
Brugia malayi Probable ClpP-like protease 0.0077 0.0809 0.1085
Onchocerca volvulus 0.0264 0.3097 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0138 0.0138
Mycobacterium ulcerans hypothetical protein 0.0577 0.6946 1
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
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
Echinococcus granulosus tumor protein p63 0.0363 0.4314 0.7936
Schistosoma mansoni acetolactate synthase 0.0493 0.5915 1
Schistosoma mansoni smad1 5 8 and 0.0019 0.0086 0.0145
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0577 0.6946 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Schistosoma mansoni ap endonuclease 0.0023 0.0138 0.0233
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
Loa Loa (eye worm) ILVBL protein 0.0349 0.415 0.7596
Schistosoma mansoni glutaminase 0.0289 0.3413 0.577
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0079 0.0825 0.1517
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.0986
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0809 0.1368
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0556 0.1023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0267 0.0451
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
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0187 0.2149 1
Trichomonas vaginalis pyruvate-flavodoxin oxidoreductase, putative 0.0084 0.089 0.2296
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0267 0.0267
Loa Loa (eye worm) hypothetical protein 0.0454 0.5436 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0556 0.0556
Entamoeba histolytica hypothetical protein 0.0079 0.0825 0.914
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
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
Brugia malayi MH2 domain containing protein 0.0019 0.0086 0.0034
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0577 0.6946 1
Treponema pallidum pyruvate oxidoreductase 0.0084 0.089 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0272 0.3193 0.5808
Echinococcus multilocularis mothers against decapentaplegic 5 0.0019 0.0086 0.0086
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
Brugia malayi Smad1 0.0019 0.0086 0.0034
Loa Loa (eye worm) hypothetical protein 0.0053 0.0511 0.0794
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
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
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0809 0.1778
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0187 0.2149 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0019 0.0086 0.0145
Schistosoma mansoni smad1 5 8 and 0.0019 0.0086 0.0145
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0174 0.0181
Echinococcus granulosus muscleblind protein 0.0454 0.5436 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
Trichomonas vaginalis glutaminase, putative 0.0289 0.3413 1
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
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
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
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0482 0.0482
Loa Loa (eye worm) hypothetical protein 0.0077 0.0809 0.1352
Loa Loa (eye worm) hypothetical protein 0.0454 0.5436 1

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-cyp2c19 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-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 7.943282347 uM 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) = 31.6227766 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) 0.005 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 31.6228 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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