Detailed information for compound 1270534

Basic information

Technical information
  • TDR Targets ID: 1270534
  • Name: 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-py rrolidin-1-ylmethyl]tetrazole hydrochloride
  • MW: 349.901 | Formula: C18H28ClN5
  • H donors: 0 H acceptors: 3 LogP: 4.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(n1nnnc1C(c1ccc(cc1)C)N1CCCC1)(C)C.Cl
  • InChi: 1S/C18H27N5.ClH/c1-5-18(3,4)23-17(19-20-21-23)16(22-12-6-7-13-22)15-10-8-14(2)9-11-15;/h8-11,16H,5-7,12-13H2,1-4H3;1H
  • InChiKey: YHIIGYPAFDWXPQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1,1-dimethylpropyl)-5-(p-tolyl-pyrrolidin-1-yl-methyl)tetrazole hydrochloride
  • 1-(1,1-dimethylpropyl)-5-(p-tolyl-1-pyrrolidinylmethyl)tetrazole hydrochloride
  • 1-tert-amyl-5-(p-tolyl-pyrrolidin-1-yl-methyl)tetrazole hydrochloride
  • 1-(2-methylbutan-2-yl)-5-[(4-methylphenyl)-pyrrolidin-1-yl-methyl]-1,2,3,4-tetrazole hydrochloride
  • 1-(1,1-Dimethyl-propyl)-5-(pyrrolidin-1-yl-p-tolyl-methyl)-1H-tetrazole
  • MLS000030037
  • SMR000003975

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein 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
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold 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 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
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 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
Loa Loa (eye worm) 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
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
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative 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
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 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
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
Candida albicans ubiquitin-specific protease 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
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, 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
Echinococcus granulosus ubiquitin specific protease 41 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
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing 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 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
Schistosoma japonicum expressed protein 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 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
Trichomonas vaginalis conserved hypothetical protein 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
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0036 0.0036
Giardia lamblia Hypothetical protein 0.0126 0.0292 0.1335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trichomonas vaginalis conserved hypothetical protein 0.0413 0.1189 0.4969
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0126 0.0292 0.0757
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0304 0.0847 0.2129
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0657 0.1953 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0126 0.0292 0.1238
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0371 0.1056 0.1056
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0126 0.0292 0.0757
Trichomonas vaginalis PIKK family atypical protein kinase 0.0126 0.0292 0.1116
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0657 0.1953 0.1953
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0657 0.1953 0.1953
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0126 0.0292 0.0678
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0126 0.0292 0.0701
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Brugia malayi RNA, U transporter 1 0.0094 0.0191 0.0494
Trichomonas vaginalis PIKK family atypical protein kinase 0.0371 0.1056 0.4399
Loa Loa (eye worm) beta-lactamase 0.0043 0.0033 0.0138
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0138
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0126 0.0292 0.1335
Onchocerca volvulus 0.0126 0.0292 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0126 0.0292 0.0678
Mycobacterium leprae conserved hypothetical protein 0.0126 0.0292 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0126 0.0292 0.0757
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0033 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0787 0.236 1
Trypanosoma cruzi hypothetical protein, conserved 0.11 0.3338 0.8637
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0126 0.0292 0.0292
Schistosoma mansoni hypothetical protein 0.0126 0.0292 0.0757
Leishmania major hypothetical protein, conserved 0.1226 0.3734 1
Schistosoma mansoni hypothetical protein 0.0287 0.0793 0.2055
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0548 0.1611 0.6828
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0126 0.0292 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0126 0.0292 0.1335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0371 0.1056 0.4399
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0126 0.0292 0.1335
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0126 0.0292 0.1238
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0126 0.0292 0.1116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0244 0.0661 0.2699
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0126 0.0292 0.0757
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0126 0.0292 0.1335
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0126 0.0292 0.0292
Leishmania major hypothetical protein, unknown function 0.0126 0.0292 0.0701
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0036 0.0016
Loa Loa (eye worm) hypothetical protein 0.0287 0.0793 0.3362
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0126 0.0292 0.1238
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0787 0.236 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0548 0.1611 0.4175
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0036 0.0094
Loa Loa (eye worm) hypothetical protein 0.0126 0.0292 0.1238
Schistosoma mansoni hypothetical protein 0.0038 0.0015 0.0038
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0126 0.0292 0.1116
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1267 0.386 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0657 0.1953 0.5189
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0126 0.0292 0.1496
Mycobacterium ulcerans beta-lactamase 0.0043 0.0033 0.5
Loa Loa (eye worm) phosphatidylinositol kinase 0.0126 0.0292 0.1238
Toxoplasma gondii FATC domain-containing protein 0.0548 0.1611 0.825
Trichomonas vaginalis PIKK family atypical protein kinase 0.0126 0.0292 0.1116
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0422 0.1216 0.3091
Leishmania major phosphatidylinositol kinase related protein, putative 0.0304 0.0847 0.2201
Trichomonas vaginalis conserved hypothetical protein 0.0287 0.0793 0.3268
Echinococcus granulosus serine protein kinase ATM 0.0548 0.1611 0.1611
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0138
Loa Loa (eye worm) hypothetical protein 0.013 0.0303 0.1285
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0126 0.0292 0.0757
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0657 0.1953 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0548 0.1611 0.4125
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0126 0.0292 0.0292
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0126 0.0292 0.1335
Loa Loa (eye worm) phosphatidylinositol 3 0.0126 0.0292 0.1238
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0371 0.1056 0.2737
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Loa Loa (eye worm) hypothetical protein 0.0422 0.1216 0.5152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0287 0.0793 0.0793
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0126 0.0292 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0126 0.0292 0.0701
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.0311 0.1316
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0126 0.0292 0.1116
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0657 0.1953 0.8276
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0126 0.0292 0.1116
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1267 0.386 1
Loa Loa (eye worm) hypothetical protein 0.0126 0.0292 0.1238
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0126 0.0292 0.1116
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0126 0.0292 0.0757
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0069 0.0294
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Echinococcus granulosus snurportin 1 0.0353 0.1 0.1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0126 0.0292 0.0757
Schistosoma mansoni hypothetical protein 0.0353 0.1 0.2592
Loa Loa (eye worm) phosphatidylinositol 3 0.0657 0.1953 0.8276
Echinococcus multilocularis geminin 0.0205 0.0537 0.0537
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0126 0.0292 0.0757
Loa Loa (eye worm) hypothetical protein 0.0055 0.0069 0.0294
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Loa Loa (eye worm) phosphatidylinositol 3 0.0126 0.0292 0.1238
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0036 0.0036
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.0311 0.1316
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0287 0.0793 0.0793
Leishmania major phosphatidylinositol 4-kinase, putative 0.0126 0.0292 0.0701
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0657 0.1953 0.5018
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0766 1
Entamoeba histolytica protein kinase rad3, putative 0.0371 0.1056 0.5322
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0126 0.0292 0.1335
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0036 0.0036
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0126 0.0292 1
Entamoeba histolytica hypothetical protein 0.0126 0.0292 0.1335
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.0036 0.001
Toxoplasma gondii ABC1 family protein 0.0043 0.0033 0.0167
Schistosoma mansoni hypothetical protein 0.0205 0.0537 0.1391
Brugia malayi beta-lactamase family protein 0.0043 0.0033 0.0085
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0126 0.0292 0.0292
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0126 0.0292 0.0757
Echinococcus multilocularis snurportin 1 0.0353 0.1 0.1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0413 0.1189 0.4969
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.0036 0.0094
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1267 0.386 0.386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0371 0.1056 0.4399
Giardia lamblia GTOR 0.0657 0.1953 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0126 0.0292 0.1496
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0657 0.1953 0.5018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0036 0.001
Loa Loa (eye worm) hypothetical protein 0.0413 0.1189 0.5038
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0033 0.0033
Plasmodium vivax hypothetical protein 0.0126 0.0292 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0126 0.0292 0.3542
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0126 0.0292 0.0292
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0015 0.0038
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.0036 0.0094
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0033 0.0033
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0548 0.1611 0.4175
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0033 0.1117
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0036 0.001
Entamoeba histolytica hypothetical protein 0.0548 0.1611 0.8217
Loa Loa (eye worm) phosphatidylinositol 3 0.0787 0.236 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0138
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0126 0.0292 0.1335
Trichomonas vaginalis conserved hypothetical protein 0.0244 0.0661 0.2699
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0033 0.0138
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.0036 0.0154
Leishmania major phosphatidylinositol kinase, putative 0.0126 0.0292 0.0701
Echinococcus granulosus geminin 0.0205 0.0537 0.0537
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0126 0.0292 0.0757
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0126 0.0292 0.0292
Loa Loa (eye worm) phosphatidylinositol 3 0.0126 0.0292 0.1238
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0126 0.0292 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Brugia malayi beta-lactamase family protein 0.0043 0.0033 0.0085
Entamoeba histolytica hypothetical protein 0.0126 0.0292 0.1335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0126 0.0292 0.0678
Loa Loa (eye worm) hypothetical protein 0.0371 0.1056 0.4477
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0126 0.0292 0.1238
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Giardia lamblia Phosphatidylinositol 4-kinase 0.0126 0.0292 0.1335
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0126 0.0292 0.1335
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0069 0.018
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0787 0.236 0.6288
Trichomonas vaginalis PIKK family atypical protein kinase 0.0371 0.1056 0.4399
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0126 0.0292 0.1335
Echinococcus multilocularis serine protein kinase ATM 0.0548 0.1611 0.1611
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0501 0.1463 0.7444
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0126 0.0292 0.0678
Schistosoma mansoni hypothetical protein 0.0205 0.0537 0.1391
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0126 0.0292 0.1496
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0126 0.0292 0.0757
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0657 0.1953 0.5189
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0657 0.1953 0.5189
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0126 0.0292 0.0678
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0126 0.0292 0.1238
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0126 0.0292 0.1496
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0657 0.1953 0.8276
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0371 0.1056 0.1056
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0657 0.1953 0.506
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0371 0.1056 0.2675
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0126 0.0292 0.1116
Brugia malayi FAT domain containing protein 0.0287 0.0793 0.2055
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0413 0.1189 0.6087
Loa Loa (eye worm) hypothetical protein 0.0045 0.0036 0.0154
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0126 0.0292 0.1116
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0126 0.0292 0.1238
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0126 0.0292 0.0292
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0036 0.0016
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0126 0.0292 0.0757
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0033 0.0085
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0126 0.0292 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0138
Loa Loa (eye worm) hypothetical protein 0.013 0.0303 0.1285
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.0036 0.0016
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0353 0.1 0.4239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0501 0.1463 0.6147
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0033 0.0138
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1267 0.386 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0033 0.0085
Echinococcus multilocularis 0.0126 0.0292 0.0292
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0657 0.1953 0.8276
Loa Loa (eye worm) hypothetical protein 0.0038 0.0015 0.0063
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1267 0.386 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0657 0.1953 0.506
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0126 0.0292 0.0757
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0126 0.0292 0.1496
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0036 0.0036
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0126 0.0292 0.1116
Trypanosoma cruzi target of rapamycin kinase 3 0.0657 0.1953 0.5018
Entamoeba histolytica hypothetical protein 0.0126 0.0292 0.1335
Loa Loa (eye worm) phosphatidylinositol 3 0.0126 0.0292 0.1238
Entamoeba histolytica hypothetical protein 0.0126 0.0292 0.1335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0371 0.1056 0.4399
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0033 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0126 0.0292 0.1116
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0413 0.1189 0.5038
Plasmodium vivax hypothetical protein, conserved 0.0126 0.0292 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0126 0.0292 0.0757
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1267 0.386 0.386
Echinococcus multilocularis Zinc finger, PHD finger 0.0126 0.0292 0.0292
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0126 0.0292 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0126 0.0292 0.1116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0657 0.1953 0.5189
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0126 0.0292 0.1116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0126 0.0292 0.1116
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0138
Loa Loa (eye worm) hypothetical protein 0.0043 0.0033 0.0138
Mycobacterium ulcerans lipase LipD 0.0043 0.0033 0.5
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0126 0.0292 0.1116
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0126 0.0292 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0126 0.0292 0.0292
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0126 0.0292 0.0678
Mycobacterium ulcerans hypothetical protein 0.0043 0.0033 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0069 0.018
Brugia malayi MH2 domain containing protein 0.0132 0.0311 0.0805
Loa Loa (eye worm) phosphatidylinositol 3 0.0126 0.0292 0.1238
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0126 0.0292 0.0678
Schistosoma mansoni fkbp-rapamycin associated protein 0.0371 0.1056 0.2737
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0126 0.0292 0.0678
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0371 0.1056 0.4399
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Onchocerca volvulus 0.0126 0.0292 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0036 0.0036
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0033 0.0085
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0126 0.0292 0.1335
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0126 0.0292 0.0678
Trichomonas vaginalis PIKK family atypical protein kinase 0.0548 0.1611 0.6784
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0657 0.1953 0.8276
Trichomonas vaginalis PIKK family atypical protein kinase 0.0657 0.1953 0.8252
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0126 0.0292 0.0292
Toxoplasma gondii target of rapamycin (TOR), putative 0.0657 0.1953 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0126 0.0292 0.0292
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0126 0.0292 0.0292
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0126 0.0292 0.1116
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0126 0.0292 0.0292
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.3229 1 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0036 0.0036
Brugia malayi beta-lactamase 0.0043 0.0033 0.0085

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 112.2018 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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