Detailed information for compound 1475755

Basic information

Technical information
  • TDR Targets ID: 1475755
  • Name: 4-[(cycloheptylamino)methyl]-2,6-dimethoxyphe nol
  • MW: 279.375 | Formula: C16H25NO3
  • H donors: 2 H acceptors: 1 LogP: 3.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNC2CCCCCC2)cc(c1O)OC
  • InChi: 1S/C16H25NO3/c1-19-14-9-12(10-15(20-2)16(14)18)11-17-13-7-5-3-4-6-8-13/h9-10,13,17-18H,3-8,11H2,1-2H3
  • InChiKey: IQGHGGMGPDLDQO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(cycloheptylamino)methyl]-2,6-dimethoxy-phenol
  • 4-Cycloheptylaminomethyl-2,6-dimethoxy-phenol
  • Oprea1_849411
  • Oprea1_100079
  • STK232542
  • BAS 03049784

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
Treponema pallidum hemolysin (tlyC) 0.0052 0.0232 0.5
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.013 0.1199 0.1199
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0062 0.0356 0.0126
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0052 0.0232 0.0232
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0052 0.0232 0.0232
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0062 0.0356 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0052 0.0232 0.5
Chlamydia trachomatis CBS domain-containing protein 0.0052 0.0232 0.5
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0052 0.0232 0.5
Schistosoma mansoni chloride channel protein 0.0052 0.0232 0.0232
Plasmodium falciparum protein MAM3, putative 0.0052 0.0232 0.5
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0052 0.0232 0.5
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative 0.013 0.1199 0.0989
Wolbachia endosymbiont of Brugia malayi hemolysin 0.0052 0.0232 0.5
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0062 0.0356 1
Wolbachia endosymbiont of Brugia malayi Mg2+/Co2+ transporter 0.0052 0.0232 0.5
Wolbachia endosymbiont of Brugia malayi Mg/Co/Ni transporter MgtE 0.0052 0.0232 0.5
Schistosoma mansoni serine/threonine protein kinase 0.013 0.1199 0.1199
Schistosoma mansoni protein kinase subunit beta 0.0062 0.0356 0.0356
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0052 0.0232 0.0232
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0062 0.0356 0.0126
Toxoplasma gondii CBS domain-containing protein 0.0052 0.0232 1
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0838 1 1
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0052 0.0232 0.5
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.013 0.1199 0.0989
Schistosoma mansoni protein kinase subunit gamma 0.0838 1 1
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0052 0.0232 0.0232
Mycobacterium ulcerans cystathionine beta-synthase 0.0052 0.0232 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0052 0.0232 0.5
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0052 0.0232 0.0232
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0052 0.0232 0.5
Toxoplasma gondii CBS domain-containing protein 0.0052 0.0232 1
Loa Loa (eye worm) loechrig isoform VII 0.0838 1 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0052 0.0232 0.5
Mycobacterium ulcerans hypothetical protein 0.0052 0.0232 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0052 0.0232 0.5
Echinococcus granulosus H:Cl exchange transporter 4 0.0052 0.0232 0.0232
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0838 1 1
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0052 0.0232 0.0232
Mycobacterium ulcerans transcriptional regulator 0.0052 0.0232 0.5
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0052 0.0232 0.0232
Toxoplasma gondii chloride transporter, chloride channel (ClC) family protein 0.0052 0.0232 1
Mycobacterium tuberculosis Conserved protein 0.0052 0.0232 0.5
Toxoplasma gondii IMP dehydrogenas 0.0052 0.0232 1
Echinococcus granulosus H:Cl exchange transporter 7 0.0052 0.0232 0.0232
Echinococcus granulosus AMPK beta subunit 0.0062 0.0356 0.0356
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0052 0.0232 0.5
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0052 0.0232 0.0232
Schistosoma mansoni chloride channel protein 0.0052 0.0232 0.0232
Chlamydia trachomatis Mg++ transporter 0.0052 0.0232 0.5
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0052 0.0232 0.5
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0062 0.0356 0.0126
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0052 0.0232 0.0232
Toxoplasma gondii CBS family protein 0.0052 0.0232 1
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0062 0.0356 0.0126
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0052 0.0232 0.5
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0052 0.0232 0.5
Mycobacterium leprae conserved hypothetical protein 0.0052 0.0232 0.5
Echinococcus granulosus H:Cl exchange transporter 3 0.0052 0.0232 0.0232
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0786 0.9356 0.9356
Mycobacterium ulcerans hypothetical protein 0.0052 0.0232 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0838 1 1
Mycobacterium tuberculosis Conserved protein 0.0052 0.0232 0.5
Leishmania major hypothetical protein, conserved 0.0062 0.0356 1
Treponema pallidum Mg2+ transport protein (mgtE) 0.0052 0.0232 0.5
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0052 0.0232 0.0232
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0062 0.0356 1
Mycobacterium ulcerans hypothetical protein 0.0052 0.0232 0.5
Schistosoma mansoni chloride channel protein 0.0052 0.0232 0.0232
Mycobacterium tuberculosis Conserved protein 0.0052 0.0232 0.5
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0052 0.0232 0.0232
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0052 0.0232 0.5
Echinococcus multilocularis AMPK beta subunit 0.0062 0.0356 0.0356
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0052 0.0232 0.5
Onchocerca volvulus Alicorn homolog 0.0054 0.0259 1
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0052 0.0232 0.0232
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.013 0.1199 0.1199

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.

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