Detailed information for compound 1475757

Basic information

Technical information
  • TDR Targets ID: 1475757
  • Name: (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2- (2-iminopyridin-1-yl)acetate
  • MW: 288.385 | Formula: C17H24N2O2
  • H donors: 0 H acceptors: 1 LogP: 3.37 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1ccccc1=N)OC1CC2C(C1(C)CC2)(C)C
  • InChi: 1S/C17H24N2O2/c1-16(2)12-7-8-17(16,3)13(10-12)21-15(20)11-19-9-5-4-6-14(19)18/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3
  • InChiKey: QLVQMXPHYHNOAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1,7,7-trimethylnorbornan-2-yl) 2-(2-imino-1-pyridyl)acetate
  • 2-(2-imino-1-pyridyl)acetic acid (1,7,7-trimethyl-2-norbornanyl) ester
  • 2-(2-imino-1-pyridyl)acetic acid 2-bornyl ester
  • (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-(2-iminopyridin-1-yl)ethanoate
  • Oprea1_603380

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
Trypanosoma brucei GMP reductase 0.0037 0.0503 0.5904
Trypanosoma brucei AMP-activated protein kinase, gamma regulatory subunit 0.0037 0.0503 0.5904
Mycobacterium tuberculosis Probable cystathionine beta-synthase Cbs (serine sulfhydrase) (beta-thionase) (hemoprotein H-450) 0.0037 0.0503 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0264
Leishmania major CBS domain protein, conserved 0.0037 0.0503 0.5904
Echinococcus granulosus AMPK beta subunit 0.0057 0.0852 0.0599
Schistosoma mansoni protein kinase subunit beta 0.0057 0.0852 0.0852
Trypanosoma cruzi 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0023 0.0269 0.316
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0037 0.0503 0.5904
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0269 0.0269
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.0121 0.1923 0.1699
Loa Loa (eye worm) hypothetical protein 0.0037 0.0503 0.0503
Echinococcus granulosus transient receptor potential cation channel 0.0163 0.2647 0.2443
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0037 0.0503 0.5904
Schistosoma mansoni protein kinase subunit beta 0.0031 0.04 0.04
Mycobacterium ulcerans transcriptional regulator 0.0037 0.0503 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Chlamydia trachomatis CBS domain-containing protein 0.0037 0.0503 0.5
Echinococcus granulosus ankyrin repeat protein 0.016 0.2591 0.2387
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0057 0.0852 1
Brugia malayi ancient conserved domain protein 2 0.0037 0.0503 0.0246
Leishmania major hypothetical protein, conserved 0.0057 0.0852 1
Schistosoma mansoni protein kinase subunit gamma 0.0597 1 1
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0057 0.0852 0.0604
Brugia malayi CBS domain containing protein 0.0037 0.0503 0.0246
Brugia malayi chloride channel protein 7 0.0037 0.0503 0.0246
Wolbachia endosymbiont of Brugia malayi hemolysin 0.0037 0.0503 0.5
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0037 0.0503 0.5
Leishmania major guanosine monophosphate reductase 0.0037 0.0503 0.5904
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0037 0.0503 0.5
Mycobacterium ulcerans hypothetical protein 0.0037 0.0503 0.5
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.0121 0.1923 0.1699
Brugia malayi CLC chloride channel protein 0.0037 0.0503 0.0246
Brugia malayi EST embl|AI107989|AI107989 comes from the 3' UTR, putative 0.0121 0.1923 0.1704
Echinococcus granulosus H:Cl exchange transporter 4 0.0037 0.0503 0.024
Echinococcus multilocularis SNF4:AMP activated protein kinase gamma subunit 0.0037 0.0503 0.024
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0503 0.0503
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0037 0.0503 0.5
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0057 0.0852 1
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0269 0.0269
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0037 0.0503 0.0503
Echinococcus multilocularis H(+):Cl() exchange transporter 4 0.0037 0.0503 0.024
Wolbachia endosymbiont of Brugia malayi Mg2+/Co2+ transporter 0.0037 0.0503 0.5
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.056 0.9373 0.9356
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0269 0.0269
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0037 0.0503 0.0246
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0597 1 1
Loa Loa (eye worm) chloride channel 3 0.0037 0.0503 0.0503
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0037 0.0503 0.5904
Toxoplasma gondii histone kinase SNF1, putative 0.0023 0.0269 0.5351
Loa Loa (eye worm) hypothetical protein 0.0023 0.0264 0.0264
Mycobacterium ulcerans hypothetical protein 0.0037 0.0503 0.5
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0037 0.0503 0.5
Echinococcus multilocularis H(+):Cl() exchange transporter 3 0.0037 0.0503 0.024
Treponema pallidum hemolysin (tlyC) 0.0037 0.0503 1
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0057 0.0852 0.0852
Schistosoma mansoni chloride channel protein 0.0037 0.0503 0.0503
Loa Loa (eye worm) loechrig isoform VII 0.0597 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0503 0.0503
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0057 0.0852 1
Echinococcus granulosus H:Cl exchange transporter 7 0.0037 0.0503 0.024
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0597 1 1
Giardia lamblia Hypothetical protein 0.0037 0.0503 0.024
Loa Loa (eye worm) CAMK/CAMKL/BRSK protein kinase 0.0023 0.0269 0.0269
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0269 0.0269
Mycobacterium ulcerans hypothetical protein 0.0037 0.0503 0.5
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0037 0.0503 0.5
Trypanosoma cruzi AMP-activated protein kinase, gamma regulatory subunit 0.0037 0.0503 0.5904
Echinococcus granulosus AMP activated protein kinase gamma regulatory 0.0037 0.0503 0.024
Chlamydia trachomatis GutQ/KpsF family sugar-phosphate isomerase 0.0037 0.0503 0.5
Loa Loa (eye worm) IMP dehydrogenase 1 0.0037 0.0503 0.0503
Loa Loa (eye worm) chloride channel protein 7 0.0037 0.0503 0.0503
Leishmania major chloride channel protein, putative 0.0037 0.0503 0.5904
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.0034 0.0452 0.8987
Schistosoma mansoni chloride channel protein 0.0037 0.0503 0.0503
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Mycobacterium leprae Probable cystathionine beta-synthase CBS (Serine sulfhydrase) (Beta-thionase) (Hemoprotein H-450) 0.0037 0.0503 0.5
Trypanosoma cruzi chloride channel protein, putative 0.0037 0.0503 0.5904
Echinococcus multilocularis ankyrin repeat protein 0.016 0.2591 0.2387
Mycobacterium ulcerans cystathionine beta-synthase 0.0037 0.0503 0.5
Toxoplasma gondii CBS domain-containing protein 0.0037 0.0503 1
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0057 0.0852 0.0604
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0037 0.0503 0.024
Toxoplasma gondii CBS domain-containing protein 0.0037 0.0503 1
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0023 0.0269 0.5
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0503 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0057 0.0852 0.0599
Entamoeba histolytica serine/threonine protein kinase, putative 0.0023 0.0269 0.5
Giardia lamblia Manganese-dependent inorganic pyrophosphatase, putative 0.0037 0.0503 0.024
Wolbachia endosymbiont of Brugia malayi Mg/Co/Ni transporter MgtE 0.0037 0.0503 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0503 0.0503
Leishmania major hypothetical protein, conserved 0.0037 0.0503 0.5904
Trypanosoma cruzi GMP reductase 0.0037 0.0503 0.5904
Toxoplasma gondii CBS family protein 0.0037 0.0503 1
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Leishmania major serine/threonine protein kinase, putative,protein kinase, putative 0.0023 0.0269 0.316
Trypanosoma brucei Voltage-gated Chloride channel Like 1 0.0037 0.0503 0.5904
Treponema pallidum Mg2+ transport protein (mgtE) 0.0037 0.0503 1
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.016 0.2591 0.2591
Echinococcus granulosus SNF4:AMP activated protein kinase gamma subunit 0.0037 0.0503 0.024
Trypanosoma brucei 5'-AMP-activated protein kinase catalytic subunit alpha, putative 0.0023 0.0269 0.316
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0037 0.0503 0.0503
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0037 0.0503 0.0503
Mycobacterium tuberculosis Conserved protein 0.0037 0.0503 0.5
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0037 0.0503 0.024
Trypanosoma cruzi SNF1-related protein kinases, putative 0.0023 0.0269 0.316
Leishmania major protein kinase, putative,SNF1-related protein kinases, putative 0.0023 0.0269 0.316
Echinococcus multilocularis H(+):Cl() exchange transporter 7 0.0037 0.0503 0.024
Mycobacterium tuberculosis Conserved protein 0.0037 0.0503 0.5
Mycobacterium tuberculosis Conserved protein 0.0037 0.0503 0.5
Leishmania major chloride channel protein, putative 0.0037 0.0503 0.5904
Trypanosoma brucei SNF1-related protein kinases, putative 0.0023 0.0269 0.316
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0037 0.0503 0.5
Chlamydia trachomatis Mg++ transporter 0.0037 0.0503 0.5
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0037 0.0503 0.5
Trypanosoma brucei Voltage-gated Chloride channel Like 3 0.0037 0.0503 0.5904
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0037 0.0503 0.024
Trypanosoma cruzi chloride channel protein, putative 0.0037 0.0503 0.5904
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0037 0.0503 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0121 0.1923 0.1923
Trypanosoma cruzi GMP reductase 0.0037 0.0503 0.5904
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0037 0.0503 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0031 0.04 0.0134
Toxoplasma gondii IMP dehydrogenas 0.0037 0.0503 1
Brugia malayi Voltage gated chloride channel family protein 0.0037 0.0503 0.0246
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Schistosoma mansoni chloride channel protein 0.0037 0.0503 0.0503
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0597 1 1
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.0121 0.1923 0.1923
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0037 0.0503 0.5904
Onchocerca volvulus Alicorn homolog 0.005 0.0729 1
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Echinococcus granulosus H:Cl exchange transporter 3 0.0037 0.0503 0.024
Toxoplasma gondii chloride transporter, chloride channel (ClC) family protein 0.0037 0.0503 1
Trypanosoma cruzi chloride channel protein, putative 0.0037 0.0503 0.5904
Trypanosoma cruzi Domain of unknown function DUF21, putative 0.0037 0.0503 0.5904
Brugia malayi ancient conserved domain protein 4 0.0037 0.0503 0.0246
Plasmodium falciparum protein MAM3, putative 0.0037 0.0503 1
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0037 0.0503 0.5904
Echinococcus multilocularis transient receptor potential cation channel 0.0163 0.2647 0.2443
Trypanosoma cruzi chloride channel protein, putative 0.0037 0.0503 0.5904
Echinococcus multilocularis AMPK beta subunit 0.0057 0.0852 0.0599
Mycobacterium tuberculosis Hypoxic response protein 1 Hrp1 0.0037 0.0503 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0269 0.0269
Brugia malayi putative serine/threonine kinase SADA gamma 0.0023 0.0269 0.0005
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0031 0.04 0.0134
Leishmania major inosine-5-monophosphate dehydrogenase 0.0037 0.0503 0.5904
Schistosoma mansoni AMP-activated protein kinase gamma regulatory subunit 0.0037 0.0503 0.0503
Trichomonas vaginalis CAMK family protein kinase 0.0023 0.0269 0.5
Mycobacterium tuberculosis Probable conserved transmembrane alanine and leucine rich protein 0.0037 0.0503 0.5

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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