Detailed information for compound 1072746

Basic information

Technical information
  • TDR Targets ID: 1072746
  • Name: N-[2-(1-cyclohexenyl)ethyl]-4-[4-[(1H-indazol e-3-carbonylamino)carbamoyl]-1,3-thiazol-2-yl ]piperidine-1-carboxamide
  • MW: 521.634 | Formula: C26H31N7O3S
  • H donors: 4 H acceptors: 5 LogP: 3.65 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CCC(CC1)c1scc(n1)C(=O)NNC(=O)c1n[nH]c2c1cccc2)NCCC1=CCCCC1
  • InChi: 1S/C26H31N7O3S/c34-23(31-32-24(35)22-19-8-4-5-9-20(19)29-30-22)21-16-37-25(28-21)18-11-14-33(15-12-18)26(36)27-13-10-17-6-2-1-3-7-17/h4-6,8-9,16,18H,1-3,7,10-15H2,(H,27,36)(H,29,30)(H,31,34)(H,32,35)
  • InChiKey: NRAAZDRWTMCPIT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(1-cyclohexenyl)ethyl]-4-[4-[(1H-indazole-3-carbonylamino)carbamoyl]thiazol-2-yl]piperidine-1-carboxamide
  • N-[2-(1-cyclohexenyl)ethyl]-4-[4-[[N'-(1H-indazol-3-yl-oxomethyl)hydrazino]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxamide
  • N-[2-(1-cyclohexenyl)ethyl]-4-[4-[(1H-indazol-3-ylcarbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide

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
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.1971 0.5
Brugia malayi beta-lactamase family protein 0.004 0.0666 0.1113
Trichomonas vaginalis set domain proteins, putative 0.0262 0.6877 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.3244 0.5418
Loa Loa (eye worm) RNA binding protein 0.007 0.1512 0.2525
Loa Loa (eye worm) beta-lactamase 0.004 0.0666 0.1113
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.023 0.5988 1
Echinococcus granulosus tar DNA binding protein 0.007 0.1512 0.1477
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0476 0.0568
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0476 0.0437
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0041 0.0069
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0476 0.0916
Echinococcus multilocularis lamin dm0 0.003 0.0387 0.0348
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0387 0.0646
Brugia malayi Pre-SET motif family protein 0.0033 0.0476 0.0795
Echinococcus multilocularis tar DNA binding protein 0.007 0.1512 0.1477
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0057 0.1138 0.4744
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0057 0.1138 0.0786
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.1971 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.1082 0.2192
Loa Loa (eye worm) hypothetical protein 0.0055 0.1095 0.1828
Schistosoma mansoni lamin 0.003 0.0387 0.0728
Brugia malayi Probable ClpP-like protease 0.0086 0.1971 0.3292
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0666 0.1316
Loa Loa (eye worm) hypothetical protein 0.0017 0.0041 0.0069
Echinococcus granulosus lamin dm0 0.003 0.0387 0.0348
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.1512 0.2525
Brugia malayi Pre-SET motif family protein 0.023 0.5988 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0607 0.1014
Loa Loa (eye worm) hypothetical protein 0.003 0.0387 0.0646
Schistosoma mansoni tar DNA-binding protein 0.007 0.1512 0.3096
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0666 0.1113
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.1971 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0666 0.1113
Brugia malayi RNA recognition motif domain containing protein 0.007 0.1512 0.2525
Echinococcus granulosus intermediate filament protein 0.003 0.0387 0.0348
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0476 0.0437
Brugia malayi MH2 domain containing protein 0.0132 0.3244 0.5418
Onchocerca volvulus 0.004 0.0666 0.0431
Loa Loa (eye worm) hypothetical protein 0.004 0.0666 0.1113
Echinococcus granulosus peptidase Clp S14 family 0.0057 0.1138 0.1102
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.1971 1
Schistosoma mansoni hypothetical protein 0.0187 0.4792 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0476 0.0916
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0442 0.0403
Mycobacterium leprae conserved hypothetical protein 0.004 0.0666 0.1768
Loa Loa (eye worm) hypothetical protein 0.004 0.0666 0.1113
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.1971 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.6665 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.1971 1
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.3244 0.5418
Loa Loa (eye worm) hypothetical protein 0.0086 0.1971 0.3292
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0666 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.1082 0.1808
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.1971 0.4062
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.1095 0.1828
Echinococcus granulosus geminin 0.0187 0.4792 0.4771
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0476 0.0916
Schistosoma mansoni tar DNA-binding protein 0.007 0.1512 0.3096
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.1095 0.1828
Onchocerca volvulus 0.004 0.0666 0.0431
Echinococcus multilocularis peptidase Clp (S14 family) 0.0057 0.1138 0.1102
Schistosoma mansoni lamin 0.003 0.0387 0.0728
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0476 0.0916
Loa Loa (eye worm) hypothetical protein 0.004 0.0666 0.1113
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.1971 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.1971 0.1938
Onchocerca volvulus 0.0033 0.0476 0.0137
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.1971 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0666 0.0628
Echinococcus granulosus lamin 0.003 0.0387 0.0348
Echinococcus multilocularis lamin 0.003 0.0387 0.0348
Loa Loa (eye worm) hypothetical protein 0.0033 0.0476 0.0795
Loa Loa (eye worm) intermediate filament protein 0.003 0.0387 0.0646
Schistosoma mansoni tar DNA-binding protein 0.007 0.1512 0.3096
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0666 0.1316
Schistosoma mansoni tar DNA-binding protein 0.007 0.1512 0.3096
Schistosoma mansoni hypothetical protein 0.0187 0.4792 1
Mycobacterium leprae Probable lipase LipE 0.004 0.0666 0.1768
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0476 0.0437
Plasmodium vivax SET domain protein, putative 0.0033 0.0476 0.0568
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.1971 1
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0666 0.5
Onchocerca volvulus 0.0262 0.6877 1
Echinococcus multilocularis geminin 0.0187 0.4792 0.4771
Loa Loa (eye worm) hypothetical protein 0.004 0.0666 0.1113
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0387 0.0646
Plasmodium vivax hypothetical protein, conserved 0.004 0.0666 0.1768
Brugia malayi TAR-binding protein 0.007 0.1512 0.2525
Schistosoma mansoni intermediate filament proteins 0.003 0.0387 0.0728
Brugia malayi beta-lactamase 0.004 0.0666 0.1113
Schistosoma mansoni hypothetical protein 0.0038 0.0607 0.1191
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0666 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.1971 0.1938
Onchocerca volvulus 0.004 0.0666 0.0431
Onchocerca volvulus 0.0055 0.1082 0.1071
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.1971 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0666 0.0628
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0607 0.1014
Brugia malayi beta-lactamase family protein 0.004 0.0666 0.1113
Leishmania major hypothetical protein, conserved 0.004 0.0666 0.5
Echinococcus multilocularis musashi 0.003 0.0387 0.0348
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0666 0.1113
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0041 0.0069
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.1971 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.1512 0.3096
Loa Loa (eye worm) hypothetical protein 0.0029 0.0372 0.0621
Toxoplasma gondii ABC1 family protein 0.004 0.0666 0.1768
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0057 0.1138 0.0786
Loa Loa (eye worm) hypothetical protein 0.004 0.0666 0.1113
Brugia malayi intermediate filament protein 0.003 0.0387 0.0646
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.1095 0.1828
Loa Loa (eye worm) TAR-binding protein 0.007 0.1512 0.2525
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0041 0.0069
Brugia malayi RNA binding protein 0.007 0.1512 0.2525

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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