Detailed information for compound 1275107

Basic information

Technical information
  • TDR Targets ID: 1275107
  • Name: 5-[(3-fluorophenyl)-[4-(phenylmethyl)piperazi n-1-yl]methyl]-[1,3]thiazolo[2,3-e][1,2,4]tri azol-6-ol
  • MW: 423.506 | Formula: C22H22FN5OS
  • H donors: 1 H acceptors: 3 LogP: 3.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)C(c1sc2n(c1O)ncn2)N1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C22H22FN5OS/c23-18-8-4-7-17(13-18)19(20-21(29)28-22(30-20)24-15-25-28)27-11-9-26(10-12-27)14-16-5-2-1-3-6-16/h1-8,13,15,19,29H,9-12,14H2
  • InChiKey: IZYUABCODVDGLV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(3-fluorophenyl)-[4-(phenylmethyl)piperazin-1-yl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol
  • 5-[(3-fluorophenyl)-[4-(phenylmethyl)-1-piperazinyl]methyl]-6-thiazolo[2,3-e][1,2,4]triazolol
  • 5-[[4-(benzyl)piperazin-1-yl]-(3-fluorophenyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol
  • MLS000103634
  • SMR000017877

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
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
Trichomonas vaginalis ap endonuclease, 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
Schistosoma mansoni ap endonuclease 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Neospora caninum hypothetical protein 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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum conserved hypothetical protein 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
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0036 0.0792 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0345 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0735 0.0578
Schistosoma mansoni carbonic anhydrase 0.0162 0.4546 0.4546
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.4546 0.4546
Loa Loa (eye worm) hypothetical protein 0.0016 0.0182 0.0016
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0182 0.0016
Trypanosoma cruzi GMP reductase 0.0129 0.3549 0.3439
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1004 0.0941
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1356 0.1306
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1356 0.1356
Toxoplasma gondii IMP dehydrogenas 0.0129 0.3549 0.7806
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0384 0.0221
Leishmania major guanosine monophosphate reductase 0.0129 0.3549 0.3439
Loa Loa (eye worm) hypothetical protein 0.005 0.1211 0.1062
Schistosoma mansoni hypothetical protein 0.0162 0.4546 0.4546
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0487 0.1072
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0129 0.3549 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1004 0.0852
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1356 0.1306
Echinococcus granulosus carbonic anhydrase II 0.0345 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1004 0.0852
Mycobacterium ulcerans beta-lactamase 0.0043 0.1004 0.1076
Loa Loa (eye worm) hypothetical protein 0.0162 0.4546 0.4453
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0487 0.0481
Schistosoma mansoni hypothetical protein 0.0016 0.0182 0.0182
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0182 0.0016
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0487 0.0326
Loa Loa (eye worm) hypothetical protein 0.0162 0.4546 0.4453
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7999 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0129 0.3549 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1004 0.0852
Schistosoma mansoni ap endonuclease 0.0023 0.0384 0.0384
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.3309 0.3195
Loa Loa (eye worm) hypothetical protein 0.0043 0.1004 0.0852
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0384 0.4854
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0057 0.1412 0.1266
Trichomonas vaginalis esterase, putative 0.0043 0.1004 0.0941
Brugia malayi beta-lactamase 0.0043 0.1004 0.0852
Schistosoma mansoni hypothetical protein 0.0016 0.0182 0.0182
Schistosoma mansoni survival motor neuron protein 0.0057 0.1412 0.1412
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1004 0.0814
Loa Loa (eye worm) hypothetical protein 0.0043 0.1004 0.0852
Echinococcus multilocularis survival motor neuron protein 1 0.028 0.8069 0.8058
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1004 0.0814
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1004 0.1076
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0467 0.0305
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0384 1
Brugia malayi hypothetical protein 0.0026 0.0487 0.0326
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0384 0.0221
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0129 0.3549 0.3512
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0057 0.1404 0.157
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0182 0.0126
Trichomonas vaginalis glutaminase, putative 0.0276 0.7955 1
Brugia malayi Bloom's syndrome protein homolog 0.0019 0.0282 0.0118
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0019 0.0282 0.0227
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0384 0.0221
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0019 0.0282 0.0227
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1356 0.1209
Loa Loa (eye worm) hypothetical protein 0.028 0.8069 0.8036
Echinococcus multilocularis GPCR, family 2 0.0016 0.0182 0.0126
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1004 0.0953
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.4546 0.4453
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0735 0.0578
Loa Loa (eye worm) hypothetical protein 0.0019 0.0282 0.0118
Leishmania major carbonic anhydrase-like protein 0.0345 1 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0057 0.1404 0.1258
Mycobacterium ulcerans lipase LipD 0.0043 0.1004 0.1076
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0129 0.3549 0.7661
Loa Loa (eye worm) RecQ helicase 0.0019 0.0282 0.0118
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0182 0.0016
Schistosoma mansoni glutaminase 0.0276 0.7955 0.7955
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1004 0.0953
Schistosoma mansoni DNA helicase recq1 0.0019 0.0282 0.0282
Echinococcus multilocularis carbonic anhydrase 0.0162 0.4546 0.4515
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0282 0.0118
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0072 0.1851 0.1926
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0792 0.0739
Loa Loa (eye worm) hypothetical protein 0.0043 0.1004 0.0852
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1004 0.1076
Leishmania major inosine-5-monophosphate dehydrogenase 0.0129 0.3549 0.3439
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0129 0.3549 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0384 0.024
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0282 0.0118
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0057 0.1404 0.1258
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0057 0.1404 0.1589
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0129 0.3549 0.3439
Leishmania major hypothetical protein, conserved 0.0026 0.0487 0.0326
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0345 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1004 0.0814
Mycobacterium tuberculosis Conserved protein 0.0043 0.1004 0.0814
Trypanosoma brucei carbonic anhydrase-like protein 0.0345 1 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0345 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0384 0.0384
Entamoeba histolytica recQ family helicase, putative 0.0019 0.0282 0.3565
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0384 0.0221
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1004 0.0814
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0487 0.0326
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0129 0.3549 0.3439
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0129 0.3549 0.3439
Brugia malayi hypothetical protein 0.0036 0.0792 0.0636
Mycobacterium ulcerans glutaminase 0.0276 0.7955 1
Plasmodium falciparum carbonic anhydrase 0.0162 0.4546 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1004 0.0941
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0384 0.1083
Echinococcus multilocularis carbonic anhydrase II 0.0345 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.1004 0.0852
Trypanosoma brucei GMP reductase 0.0129 0.3549 0.3439
Schistosoma mansoni hypothetical protein 0.0034 0.0735 0.0735
Loa Loa (eye worm) hypothetical protein 0.0162 0.4546 0.4453
Brugia malayi MH2 domain containing protein 0.0121 0.3309 0.3195
Loa Loa (eye worm) hypothetical protein 0.0043 0.1004 0.0852
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0072 0.1851 0.3328
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0129 0.3549 0.4155
Echinococcus granulosus carbonic anhydrase 0.0162 0.4546 0.4515
Echinococcus granulosus survival motor neuron protein 1 0.028 0.8069 0.8058
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1356 0.1209
Schistosoma mansoni hypothetical protein 0.0012 0.0057 0.0057
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0384 0.033
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1004 0.0814
Leishmania major hypothetical protein, conserved 0.0043 0.1004 0.0852
Toxoplasma gondii exonuclease III APE 0.0023 0.0384 0.0846
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0282 0.0118
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0129 0.3549 0.3439
Loa Loa (eye worm) beta-lactamase 0.0043 0.1004 0.0852
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0162 0.4546 0.4453
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1004 0.0852
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0129 0.3549 0.4342
Echinococcus multilocularis bloom syndrome protein 0.0019 0.0282 0.0227
Loa Loa (eye worm) glutaminase 0.0276 0.7955 0.792
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.1211 0.1062
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0282 0.0621
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0019 0.0282 0.0227
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0384 0.0221
Brugia malayi Cytochrome P450 family protein 0.0025 0.0467 0.0305
Loa Loa (eye worm) hypothetical protein 0.0026 0.0487 0.0326
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0487 0.0326
Schistosoma mansoni hypothetical protein 0.0057 0.1412 0.1412
Echinococcus multilocularis carbonic anhydrase 0.0162 0.4546 0.4515
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1004 0.0941
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1004 0.0814
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0129 0.3549 0.3512
Brugia malayi hypothetical protein 0.0017 0.0211 0.0045
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0182 0.0126
Mycobacterium ulcerans hypothetical protein 0.0043 0.1004 0.1076
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1004 0.0941
Brugia malayi GMP reductase 0.0057 0.1404 0.1258
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1356 0.1306
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0019 0.0282 0.0118
Echinococcus granulosus carbonic anhydrase 0.0162 0.4546 0.4515
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0129 0.3549 0.4342
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.4546 0.4546
Schistosoma mansoni DNA helicase recq5 0.0019 0.0282 0.0282
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.3309 0.3195
Toxoplasma gondii ABC1 family protein 0.0043 0.1004 0.221
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.4546 0.4453
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0182 0.0126
Echinococcus granulosus GPCR family 2 0.0016 0.0182 0.0126
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0384 0.5
Toxoplasma gondii hypothetical protein 0.0162 0.4546 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1004 0.1004
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1004 0.0852
Echinococcus granulosus carbonic anhydrase 0.0162 0.4546 0.4515
Mycobacterium tuberculosis Conserved protein 0.0043 0.1004 0.0814
Loa Loa (eye worm) GMP reductase 0.0057 0.1404 0.1258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1356 0.1356
Onchocerca volvulus 0.0057 0.1412 1
Trypanosoma cruzi GMP reductase 0.0129 0.3549 0.3439
Loa Loa (eye worm) hypothetical protein 0.0043 0.1004 0.0852
Echinococcus multilocularis carbonic anhydrase 0.0162 0.4546 0.4515
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0182 0.0126
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0384 0.028
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0487 0.1374
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0162 0.4546 0.4453
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0384 0.0221
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0129 0.3549 0.3439
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0282 0.0118
Echinococcus granulosus bloom syndrome protein 0.0019 0.0282 0.0227
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1004 0.2831
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.1211 0.1062
Loa Loa (eye worm) IMP dehydrogenase 1 0.0129 0.3549 0.3439
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1004 0.1004
Loa Loa (eye worm) glutaminase 2 0.0276 0.7955 0.792
Entamoeba histolytica hypothetical protein 0.0036 0.0792 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1356 0.1306
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0792 0.0739
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0282 0.0621
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0487 0.0481
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0792 0.0792
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0345 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1004 0.0814
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0345 1 1
Brugia malayi glutaminase DH11.1 0.0276 0.7955 0.792
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1004 0.0852
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0384 0.033
Schistosoma mansoni hypothetical protein 0.0036 0.0792 0.0792
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0129 0.3549 0.3549
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.1211 0.1062
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0162 0.4546 0.4453
Entamoeba histolytica hypothetical protein 0.0036 0.0792 1
Schistosoma mansoni carbonic anhydrase-related 0.0162 0.4546 0.4546
Mycobacterium tuberculosis Conserved protein 0.0043 0.1004 0.0814
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1004 0.0941
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0019 0.0282 0.0118
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0384 0.0133
Schistosoma mansoni hypothetical protein 0.0016 0.0182 0.0182
Brugia malayi beta-lactamase family protein 0.0043 0.1004 0.0852
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0384 0.0133
Brugia malayi hypothetical protein 0.028 0.8069 0.8036
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0162 0.4546 0.4453
Schistosoma mansoni hypothetical protein 0.0016 0.0182 0.0182
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0345 1 1
Onchocerca volvulus Putative GMP reductase 0.0057 0.1404 0.9801
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0019 0.0282 0.0227
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0345 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.0792 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1356 0.1356

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0018 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 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) 2.5119 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) 9.285 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) 18.526 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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