Detailed information for compound 625569

Basic information

Technical information
  • TDR Targets ID: 625569
  • Name: 5-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)me thyl]-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-ol
  • MW: 361.437 | Formula: C17H20FN5OS
  • H donors: 1 H acceptors: 3 LogP: 2.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(c1sc2n(c1O)ncn2)c1cccc(c1)F
  • InChi: 1S/C17H20FN5OS/c1-2-21-6-8-22(9-7-21)14(12-4-3-5-13(18)10-12)15-16(24)23-17(25-15)19-11-20-23/h3-5,10-11,14,24H,2,6-9H2,1H3
  • InChiKey: RUPVYMQJJNOVBW-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-[(4-ethylpiperazin-1-yl)-(3-fluorophenyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol
  • 5-[(4-ethyl-1-piperazinyl)-(3-fluorophenyl)methyl]-6-thiazolo[2,3-e][1,2,4]triazolol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


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

Activities

No activities found for this compound.

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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