Detailed information for compound 1270452

Basic information

Technical information
  • TDR Targets ID: 1270452
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimet hyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacet amide
  • MW: 475.561 | Formula: C22H29N5O5S
  • H donors: 1 H acceptors: 4 LogP: 2.49 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c(SCC(=O)NCCc2ccc(c(c2)OC)OC)nc2c1c(=O)n(c(=O)n2C)C
  • InChi: 1S/C22H29N5O5S/c1-6-11-27-18-19(25(2)22(30)26(3)20(18)29)24-21(27)33-13-17(28)23-10-9-14-7-8-15(31-4)16(12-14)32-5/h7-8,12H,6,9-11,13H2,1-5H3,(H,23,28)
  • InChiKey: ICVBHEMYGGAUJV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-acetamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,3-dimethyl-2,6-dioxo-7-propyl-8-purinyl)thio]acetamide
  • 2-[(2,6-diketo-1,3-dimethyl-7-propyl-purin-8-yl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanyl-ethanamide
  • MLS000029795
  • N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetamide
  • SMR000002667
  • ASN 03801693
  • MLS000880209
  • Oprea1_109782

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
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
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 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
Plasmodium berghei 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
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
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:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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 ubiquitin-specific protease 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Plasmodium yoelii putative AP endonuclease-related 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
Trypanosoma cruzi 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis conserved hypothetical protein 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
Schistosoma mansoni ap endonuclease 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
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
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 carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii exonuclease III APE 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
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum hypothetical protein 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
Loa Loa (eye worm) hypothetical 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
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 latrophilin 2 splice variant baaae 0.0135 0.2652 0.3329
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0135 0.2652 0.2892
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2241 0.2241
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0286 0.654 0.654
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0218 0.0218
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0322 0.0322
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0069 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.4898 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0932 0.0932
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0784 0.0784
Echinococcus granulosus geminin 0.0344 0.8028 0.8028
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0322 0.0322
Brugia malayi PHD-finger family protein 0.0049 0.0435 0.0546
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0068 0.0068
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0315 0.0315
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0322 1
Entamoeba histolytica hypothetical protein 0.0036 0.0098 0.3028
Toxoplasma gondii ABC1 family protein 0.0035 0.0069 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0118 0.2197 0.2197
Schistosoma mansoni zinc finger protein 0.0039 0.0165 0.0179
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0088 0.1427 0.1427
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0198 0.4263 0.4263
Schistosoma mansoni hypothetical protein 0.0344 0.8028 0.8751
Schistosoma mansoni metabotropic glutamate receptor 0.0286 0.654 0.713
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0079 0.1199 0.1199
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0034 0.0037 0.0037
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0088 0.1427 0.1427
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0322 0.0322
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0322 0.2536
Schistosoma mansoni hypothetical protein 0.0063 0.0784 0.0854
Loa Loa (eye worm) hypothetical protein 0.0045 0.0322 0.0322
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0069 0.2148
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0784 0.0983
Onchocerca volvulus 0.0035 0.0069 0.1152
Brugia malayi beta-lactamase family protein 0.0035 0.0069 0.0087
Leishmania major hypothetical protein, conserved 0.0035 0.0069 0.2148
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0069 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2241 0.2241
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0079 0.1199 0.1199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0198 0.4263 0.535
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0315 0.0343
Echinococcus granulosus fetal alzheimer antigen falz 0.0044 0.0315 0.0315
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0784 0.0784
Loa Loa (eye worm) hypothetical protein 0.0055 0.0601 0.0601
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0389 0.9173 1
Onchocerca volvulus 0.0035 0.0069 0.1152
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0037 0.0037
Schistosoma mansoni hypothetical protein 0.0055 0.0601 0.0655
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0055 0.0601 0.0754
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0322 0.0404
Schistosoma mansoni bromodomain containing protein 0.0125 0.2378 0.2593
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0315 0.0315
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0098 0.0098
Brugia malayi Receptor family ligand binding region containing protein 0.0088 0.1427 0.1792
Brugia malayi hypothetical protein 0.0036 0.0098 0.0122
Entamoeba histolytica hypothetical protein 0.0036 0.0098 0.3028
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0069 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0069 0.0069
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0069 0.0075
Mycobacterium ulcerans beta-lactamase 0.0035 0.0069 0.5
Schistosoma mansoni hypothetical protein 0.0063 0.0784 0.0854
Echinococcus granulosus GPCR family 3 C terminal 0.0055 0.0601 0.0601
Loa Loa (eye worm) hypothetical protein 0.0063 0.0784 0.0784
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0037 0.004
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0118 0.2197 0.2197
Mycobacterium leprae Probable lipase LipE 0.0035 0.0069 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.1333 0.1333
Brugia malayi beta-lactamase family protein 0.0035 0.0069 0.0087
Echinococcus multilocularis zinc finger protein 0.0039 0.0165 0.0165
Brugia malayi metabotropic glutamate receptor type 2 0.0167 0.346 0.4342
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0098 0.0106
Mycobacterium ulcerans hypothetical protein 0.0035 0.0069 0.5
Echinococcus granulosus zinc finger protein 0.0039 0.0165 0.0165
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0074 0.1066 1
Entamoeba histolytica hypothetical protein 0.0036 0.0098 0.3028
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.0069
Onchocerca volvulus 0.0035 0.0069 0.1152
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0421 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0098 0.0098
Schistosoma mansoni voltage-gated potassium channel 0.0086 0.1385 0.151
Schistosoma mansoni metabotropic glutamate receptor 0.0167 0.346 0.3772
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0784 0.0784
Brugia malayi Bromodomain containing protein 0.0148 0.2972 0.373
Schistosoma mansoni hypothetical protein 0.0344 0.8028 0.8751
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0784 0.0784
Loa Loa (eye worm) hypothetical protein 0.0421 1 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0322 0.0322
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0993 0.0993
Mycobacterium ulcerans lipase LipD 0.0035 0.0069 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.0069
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0074 0.1066 1
Onchocerca volvulus Poor gastrulation protein homolog 0.0055 0.0601 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.0069
Brugia malayi Calcitonin receptor-like protein seb-1 0.0198 0.4263 0.535
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0044 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0198 0.4263 0.4263
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0322 0.2536
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0322 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.2652 0.2652
Loa Loa (eye worm) glutamate receptor 0.0134 0.2633 0.2633
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0037 0.004
Echinococcus multilocularis GPCR, family 2 0.0063 0.0784 0.0784
Schistosoma mansoni hypothetical protein 0.0036 0.0098 0.0106
Brugia malayi Bromodomain containing protein 0.0075 0.1113 0.1397
Schistosoma mansoni hypothetical protein 0.0041 0.0218 0.0238
Loa Loa (eye worm) hypothetical protein 0.0139 0.2755 0.2755
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0069 0.0087
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0322 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0037 0.0037
Echinococcus granulosus metabotropic glutamate receptor 2 0.0286 0.654 0.654
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.0069
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0055 0.0601 1
Schistosoma mansoni voltage-gated potassium channel 0.0086 0.1385 0.151
Schistosoma mansoni hypothetical protein 0.0063 0.0784 0.0854
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0322 0.2536
Loa Loa (eye worm) glutamate receptor 0.0342 0.7968 0.7968
Echinococcus multilocularis GPCR, family 3, C terminal 0.0055 0.0601 0.0601
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0079 0.1199 0.1505
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0315 0.0395
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0322 0.0322
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0322 0.0351
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0079 0.1199 0.1199
Schistosoma mansoni hypothetical protein 0.0063 0.0784 0.0854
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0044 0.0315 0.0343
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0322 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.031 0.7141 0.8962
Loa Loa (eye worm) hypothetical protein 0.0076 0.1117 0.1117
Echinococcus multilocularis geminin 0.0344 0.8028 0.8028
Brugia malayi beta-lactamase 0.0035 0.0069 0.0087
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0037 0.0037
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0037 0.004
Brugia malayi MH2 domain containing protein 0.0119 0.2241 0.2812
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0315 0.0315
Brugia malayi Metabotropic glutamate receptor precursor. 0.0342 0.7968 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0993 0.0993
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.0069
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0315 0.0315
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0069 0.5
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.0322 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0315 0.0343
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0069 0.0075
Loa Loa (eye worm) beta-lactamase 0.0035 0.0069 0.0069
Entamoeba histolytica hypothetical protein 0.0036 0.0098 0.3028
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0322 0.0351
Echinococcus granulosus GPCR family 2 0.0063 0.0784 0.0784
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.0322 0.5
Loa Loa (eye worm) hypothetical protein 0.008 0.1236 0.1236
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0069 0.2148
Loa Loa (eye worm) hypothetical protein 0.0035 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0088 0.1427 0.1427
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0315 0.0343
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0322 0.0322
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0315 0.0315
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0037 0.004
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0784 0.0983
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0784 0.0784

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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 (functional) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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