Detailed information for compound 133679

Basic information

Technical information
  • TDR Targets ID: 133679
  • Name: 1-(6-aminopyridin-3-yl)-3-cyclohexylthiourea
  • MW: 250.363 | Formula: C12H18N4S
  • H donors: 2 H acceptors: 1 LogP: 2.16 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: S/C(=N\C1CCCCC1)/Nc1ccc(nc1)N
  • InChi: 1S/C12H18N4S/c13-11-7-6-10(8-14-11)16-12(17)15-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,13,14)(H2,15,16,17)
  • InChiKey: UXOSOCJDJQDHJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(6-amino-3-pyridyl)-3-cyclohexyl-thiourea
  • 1-(6-amino-3-pyridyl)-3-cyclohexylthiourea
  • 1-(6-azanylpyridin-3-yl)-3-cyclohexyl-thiourea
  • 3-(6-aminopyridin-3-yl)-1-cyclohexylthiourea
  • 3-(6-amino-3-pyridyl)-1-cyclohexyl-thiourea
  • 3-(6-amino-3-pyridyl)-1-cyclohexylthiourea
  • 3-(6-aminopyridin-3-yl)-1-cyclohexyl-thiourea

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
Brugia malayi RNA binding protein 0.0134 0.1378 0.1641
Leishmania major hypothetical protein, conserved 0.0077 0.0611 0.5
Loa Loa (eye worm) RNA binding protein 0.0134 0.1378 0.1641
Loa Loa (eye worm) transcription factor SMAD2 0.0652 0.8399 1
Toxoplasma gondii ABC1 family protein 0.0077 0.0611 0.5
Loa Loa (eye worm) TAR-binding protein 0.0134 0.1378 0.1641
Echinococcus multilocularis thyroid hormone receptor alpha 0.03 0.3627 0.3517
Schistosoma mansoni transcription factor LCR-F1 0.0118 0.1167 0.1015
Brugia malayi beta-lactamase 0.0077 0.0611 0.0727
Schistosoma mansoni microtubule-associated protein tau 0.0771 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0278 0.3325 0.321
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.0611 0.0727
Mycobacterium ulcerans lipase LipD 0.0077 0.0611 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0652 0.8399 1
Echinococcus granulosus lamin 0.006 0.0375 0.0209
Echinococcus granulosus intermediate filament protein 0.006 0.0375 0.0209
Onchocerca volvulus 0.0077 0.0611 0.367
Mycobacterium ulcerans beta-lactamase 0.0077 0.0611 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.036 0.0429
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0611 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0611 0.0727
Loa Loa (eye worm) MH2 domain-containing protein 0.0044 0.0169 0.0202
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1378 0.123
Brugia malayi MH1 domain containing protein 0.0044 0.0169 0.0202
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1378 0.123
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.006 0.0375 0.0446
Echinococcus multilocularis musashi 0.006 0.0375 0.0209
Entamoeba histolytica hypothetical protein 0.0118 0.1167 0.5
Entamoeba histolytica hypothetical protein 0.0118 0.1167 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.0611 0.0727
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0278 0.3325 0.321
Brugia malayi MH2 domain containing protein 0.0652 0.8399 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0118 0.1167 0.1015
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1378 0.123
Schistosoma mansoni lamin 0.006 0.0375 0.0209
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0134 0.1378 0.1641
Brugia malayi RNA recognition motif domain containing protein 0.0134 0.1378 0.1641
Brugia malayi beta-lactamase family protein 0.0077 0.0611 0.0727
Onchocerca volvulus 0.0077 0.0611 0.367
Echinococcus multilocularis lamin dm0 0.006 0.0375 0.0209
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0611 0.0449
Brugia malayi intermediate filament protein 0.006 0.0375 0.0446
Entamoeba histolytica hypothetical protein 0.0118 0.1167 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0611 0.5
Schistosoma mansoni intermediate filament proteins 0.006 0.0375 0.0209
Echinococcus multilocularis tar DNA binding protein 0.0134 0.1378 0.123
Mycobacterium ulcerans esterase/lipase LipP 0.0077 0.0611 0.5
Schistosoma mansoni hypothetical protein 0.0278 0.3325 0.321
Echinococcus granulosus tar DNA binding protein 0.0134 0.1378 0.123
Mycobacterium ulcerans hypothetical protein 0.0077 0.0611 0.5
Onchocerca volvulus 0.0107 0.1018 1
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0611 0.5
Loa Loa (eye worm) Smad1 0.0044 0.0169 0.0202
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0611 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0611 0.5
Schistosoma mansoni thyroid hormone receptor 0.03 0.3627 0.3517
Echinococcus multilocularis tumor protein p63 0.0732 0.9475 0.9466
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0611 0.5
Trichomonas vaginalis esterase, putative 0.0077 0.0611 0.5
Echinococcus multilocularis lamin 0.006 0.0375 0.0209
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0611 0.0449
Brugia malayi Smad1 0.0044 0.0169 0.0202
Loa Loa (eye worm) hypothetical protein 0.006 0.0375 0.0446
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0611 0.5
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0611 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0611 0.0727
Loa Loa (eye worm) MH1 domain-containing protein 0.0044 0.0169 0.0202
Brugia malayi MH2 domain containing protein 0.0044 0.0169 0.0202
Brugia malayi beta-lactamase family protein 0.0077 0.0611 0.0727
Brugia malayi TAR-binding protein 0.0134 0.1378 0.1641
Loa Loa (eye worm) hypothetical protein 0.0077 0.0611 0.0727
Loa Loa (eye worm) hypothetical protein 0.0077 0.0611 0.0727
Echinococcus granulosus tumor protein p63 0.0732 0.9475 0.9466
Schistosoma mansoni thyroid hormone receptor 0.03 0.3627 0.3517
Loa Loa (eye worm) intermediate filament protein 0.006 0.0375 0.0446
Entamoeba histolytica hypothetical protein 0.0118 0.1167 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0492 0.6232 1
Brugia malayi MH2 domain containing protein 0.0044 0.0169 0.0202
Schistosoma mansoni hypothetical protein 0.0118 0.1167 0.1015
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0077 0.0611 0.5
Mycobacterium leprae conserved hypothetical protein 0.0077 0.0611 0.5
Loa Loa (eye worm) beta-lactamase 0.0077 0.0611 0.0727
Loa Loa (eye worm) hypothetical protein 0.0077 0.0611 0.0727
Loa Loa (eye worm) hypothetical protein 0.0107 0.1018 0.1212
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0118 0.1167 0.1015
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1378 0.123
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.0611 0.0449
Mycobacterium leprae Probable lipase LipE 0.0077 0.0611 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.006 0.0375 0.0446
Loa Loa (eye worm) hypothetical protein 0.0077 0.0611 0.0727
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0611 0.5
Schistosoma mansoni lamin 0.006 0.0375 0.0209
Brugia malayi MH1 domain containing protein 0.0044 0.0169 0.0202
Brugia malayi hypothetical protein 0.0118 0.1167 0.139
Echinococcus multilocularis microtubule associated protein 2 0.0771 1 1
Echinococcus granulosus lamin dm0 0.006 0.0375 0.0209
Schistosoma mansoni tar DNA-binding protein 0.0134 0.1378 0.123
Onchocerca volvulus 0.0077 0.0611 0.367
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.0611 0.0449
Schistosoma mansoni cellular tumor antigen P53 0.0107 0.1018 0.0863

Activities

Activity type Activity value Assay description Source Reference
Decrease in SBP (functional) = 26 % Maximum percent fall in Systolic blood pressure (SBP) was measured in anesthetized normotensive rat for 30 mins after intravenous (iv) injection at 1 mg/kg dose ChEMBL. 8289193
Decrease in SBP (functional) = 35 % Maximum percent fall in Systolic blood pressure (SBP) was measured in anesthetized normotensive rat for 30 mins after intravenous (iv) injection at 3 mg/kg dose ChEMBL. 8289193
pEC100 (functional) = 5 Negative logarithm of the concentration causing a 100% inhibition of spontaneous mechanical activity in rat portal vein is determined in vitro ChEMBL. 8289193

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

1 literature reference was collected for this gene.

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