Detailed information for compound 219818

Basic information

Technical information
  • TDR Targets ID: 219818
  • Name: 1-(cyclohexylamino)propan-2-yl benzoate
  • MW: 261.359 | Formula: C16H23NO2
  • H donors: 1 H acceptors: 1 LogP: 3.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)c1ccccc1)CNC1CCCCC1
  • InChi: 1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
  • InChiKey: DKLKMKYDWHYZTD-UHFFFAOYSA-N  

Network

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Synonyms

  • Hexylcaine
  • [2-(cyclohexylamino)-1-methyl-ethyl] benzoate
  • benzoic acid [2-(cyclohexylamino)-1-methylethyl] ester
  • benzoic acid [2-(cyclohexylamino)-1-methyl-ethyl] ester
  • Prestwick0_000788
  • BSPBio_000896
  • Prestwick3_000788
  • SPBio_002835
  • Prestwick1_000788
  • Prestwick2_000788
  • C14172
  • (2-Cyclohexylamino-1-methylethyl) benzoate
  • 1-(Cyclohexylamino)-2-propanol benzoate (ester)
  • 2-Propanol, 1-(cyclohexylamino)-, benzoate (ester)
  • Hexilcaina [INN-Spanish]
  • Hexylcainum [INN-Latin]
  • BPBio1_000986

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sodium channel, voltage-gated, type I, alpha subunit Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania braziliensis calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania infantum calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania donovani calcium channel protein, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit Get druggable targets OG5_126819 All targets in OG5_126819
Leishmania mexicana calcium channel protein, putative,ion transporter, putative Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus granulosus sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819
Echinococcus multilocularis sodium channel protein Get druggable targets OG5_126819 All targets in OG5_126819

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
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0229 0.3638 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0229 0.3638 1
Echinococcus granulosus carbonic anhydrase 0.0124 0.1694 0.4655
Plasmodium falciparum carbonic anhydrase 0.0124 0.1694 0.5
Trichomonas vaginalis conserved hypothetical protein 0.022 0.3471 1
Toxoplasma gondii hypothetical protein 0.0124 0.1694 1
Schistosoma mansoni carbonic anhydrase-related 0.0124 0.1694 0.1694
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0116 0.1536 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0068 0.0187
Loa Loa (eye worm) hypothetical protein 0.0124 0.1694 0.4655
Leishmania major ribonuclease H1, putative 0.0116 0.1536 0.1515
Leishmania major carbonic anhydrase-like protein 0.0229 0.3638 0.3964
Brugia malayi RNase H family protein 0.0116 0.1536 0.4222
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0289 0.4744 1
Trypanosoma brucei unspecified product 0.0128 0.1776 0.0284
Trypanosoma brucei carbonic anhydrase-like protein 0.0229 0.3638 0.2483
Echinococcus granulosus carbonic anhydrase 0.0124 0.1694 0.4655
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0229 0.3638 0.3638
Echinococcus multilocularis carbonic anhydrase II 0.0229 0.3638 1
Brugia malayi RNase H family protein 0.0116 0.1536 0.4222
Schistosoma mansoni hypothetical protein 0.0036 0.0068 0.0068
Mycobacterium ulcerans carbonic anhydrase 0.0509 0.8818 1
Echinococcus granulosus ribonuclease H1 0.0116 0.1536 0.4222
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0229 0.3638 0.3638
Schistosoma mansoni phosphoglucomutase 0.0116 0.1536 0.1536
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0509 0.8818 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0128 0.1776 0.0284
Echinococcus multilocularis carbonic anhydrase 0.0124 0.1694 0.4655
Leishmania major carbonic anhydrase family protein, putative 0.0509 0.8818 1
Schistosoma mansoni carbonic anhydrase-related 0.0124 0.1694 0.1694
Schistosoma mansoni phosphoglucomutase 0.0116 0.1536 0.1536
Loa Loa (eye worm) hypothetical protein 0.0036 0.0068 0.0187
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0124 0.1694 0.4655
Echinococcus granulosus carbonic anhydrase 0.0124 0.1694 0.4655
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0378 0.104
Entamoeba histolytica carbonic anhydrase, putative 0.0509 0.8818 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.1694 0.4655
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0124 0.1694 0.4655
Schistosoma mansoni phosphoglucomutase 0.0116 0.1536 0.1536
Schistosoma mansoni carbonic anhydrase-related 0.0124 0.1694 0.1694
Loa Loa (eye worm) hypothetical protein 0.0124 0.1694 0.4655
Echinococcus multilocularis carbonic anhydrase 0.0124 0.1694 0.4655
Giardia lamblia Ribonuclease H 0.0116 0.1536 0.5
Echinococcus granulosus carbonic anhydrase II 0.0229 0.3638 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0128 0.1776 0.0284
Loa Loa (eye worm) carbonic anhydrase 3 0.0229 0.3638 1
Echinococcus multilocularis carbonic anhydrase 0.0124 0.1694 0.4655
Echinococcus granulosus sodium channel protein 0.0045 0.0236 0.0648
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0378 0.104
Brugia malayi RNase H family protein 0.0116 0.1536 0.4222
Schistosoma mansoni hypothetical protein 0.0124 0.1694 0.1694
Treponema pallidum ribonuclease H (rnhA) 0.0116 0.1536 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0378 0.104
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0229 0.3638 1
Schistosoma mansoni carbonic anhydrase 0.0509 0.8818 0.8818
Echinococcus multilocularis ribonuclease H1 0.0116 0.1536 0.4222
Echinococcus multilocularis sodium channel protein 0.0045 0.0236 0.0648
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0124 0.1694 0.4655
Trypanosoma brucei ingi protein (ORF1) 0.0128 0.1776 0.0284
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0124 0.1694 0.4655
Trichomonas vaginalis conserved hypothetical protein 0.022 0.3471 1
Schistosoma mansoni amine GPCR 0.0184 0.2798 0.2798
Onchocerca volvulus Ribonuclease H1 homolog 0.0116 0.1536 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0124 0.1694 0.4655
Trypanosoma brucei RNA helicase, putative 0.0573 1 1
Trypanosoma brucei ingi protein (ORF1) 0.0128 0.1776 0.0284
Schistosoma mansoni carbonic anhydrase 0.0124 0.1694 0.1694
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0229 0.3638 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0045 0.0236 0.0648
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0229 0.3638 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0124 0.1694 0.4655
Loa Loa (eye worm) hypothetical protein 0.0053 0.0378 0.104

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7 uM Inhibition of binding of Batrachotoxinin [3H]-BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex ChEMBL. 2579237
IC50 (binding) = 7 uM Inhibition of binding of Batrachotoxinin [3H]-BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex ChEMBL. 2579237
Inhibition (binding) = 54.9 % Inhibition of binding of Batrachotoxinin [3H]-BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 microM ChEMBL. 2579237
Inhibition (binding) = 54.9 % Inhibition of binding of Batrachotoxinin [3H]-BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 microM ChEMBL. 2579237

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.