Detailed information for compound 567033

Basic information

Technical information
  • TDR Targets ID: 567033
  • Name: 1,3,3-trimethyl-2-(2-methylcyclopropyl)cycloh exene
  • MW: 178.314 | Formula: C13H22
  • H donors: 0 H acceptors: 0 LogP: 3.97 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CC1C1=C(C)CCCC1(C)C
  • InChi: 1S/C13H22/c1-9-6-5-7-13(3,4)12(9)11-8-10(11)2/h10-11H,5-8H2,1-4H3
  • InChiKey: BIJUQTKPTMHITN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,3,3-Trimethyl-2-(2-methyl-cyclopropyl)-cyclohexene
  • 1,3,3-Trimethyl-2-(2-methylcyclopropyl)-1-cyclohexene

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Curated by TDR Targets References
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Curated by TDR Targets References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma mansoni dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium ulcerans dihydrofolate reductase DfrA Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) Get druggable targets OG5_128410 All targets in OG5_128410
Schistosoma japonicum ko:K00287 dihydrofolate reductase [EC1.5.1.3], putative Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus granulosus dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Echinococcus multilocularis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi Dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Loa Loa (eye worm) dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) Get druggable targets OG5_128410 All targets in OG5_128410
Chlamydia trachomatis dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
Brugia malayi dihydrofolate reductase family protein Get druggable targets OG5_128410 All targets in OG5_128410
Candida albicans dihydrofolate reductase Get druggable targets OG5_128410 All targets in OG5_128410
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 165 aa 143 aa 34.3 %
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 159 aa 140 aa 37.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) beta-lactamase 0.0035 0.009 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.3852 0.643
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0472 0.1186
Onchocerca volvulus 0.0049 0.0436 0.0984
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1543 0.1543
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.3311 1
Schistosoma mansoni hypothetical protein 0.0049 0.0436 0.0436
Echinococcus granulosus dihydrofolate reductase 0.0415 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1543 0.1543
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.1793 0.1793
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.009 0.009
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0472 0.1186
Loa Loa (eye worm) hypothetical protein 0.0238 0.5378 0.5378
Schistosoma mansoni hypothetical protein 0.0349 0.8268 0.8268
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.009 0.009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1543 0.1543
Onchocerca volvulus Glucosylceramidase homolog 0.017 0.3612 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0472 0.0472
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0472 0.0472
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1543 0.1543
Loa Loa (eye worm) hypothetical protein 0.0035 0.009 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.3612 0.6021
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.026 0.594 0.594
Loa Loa (eye worm) dihydrofolate reductase 0.0415 1 1
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0472 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0472 0.0472
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0415 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.594 1
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0472 0.0653
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0472 0.0653
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0472 0.0653
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.3612 0.6021
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0436 0.0436
Echinococcus granulosus survival motor neuron protein 1 0.0238 0.5378 0.5378
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0472 0.0653
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.3311 1
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0472 0.0472
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0472 0.1186
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1543 0.1543
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0472 0.1186
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0963 0.0963
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.3612 0.6021
Loa Loa (eye worm) hypothetical protein 0.0035 0.009 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.3612 0.6021
Brugia malayi MAP kinase sur-1 0.005 0.0472 0.0472
Echinococcus granulosus geminin 0.0349 0.8268 0.8268
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0472 0.1186
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0472 0.1186
Loa Loa (eye worm) hypothetical protein 0.0101 0.1793 0.1793
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.594 1
Schistosoma mansoni hypothetical protein 0.0349 0.8268 0.8268
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1543 0.1543
Schistosoma mansoni survival motor neuron protein 0.0049 0.0436 0.0436
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1543 0.1543
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0472 0.1186
Schistosoma mansoni hypothetical protein 0.0069 0.0963 0.0963
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.594 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.026 0.594 0.594
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.3612 0.6021
Brugia malayi hypothetical protein 0.0238 0.5378 0.5378
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.3612 0.6021
Echinococcus multilocularis geminin 0.0349 0.8268 0.8268
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.3311 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0238 0.5378 0.5378
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1543 0.1543
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.009 0.009
Echinococcus multilocularis dihydrofolate reductase 0.0415 1 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.3311 1
Brugia malayi beta-lactamase 0.0035 0.009 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.017 0.3612 0.6021
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0472 0.0472
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0415 1 1
Trypanosoma brucei protein kinase, putative 0.005 0.0472 0.1186
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.3852 0.643
Loa Loa (eye worm) hypothetical protein 0.0035 0.009 0.009
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0472 0.1186
Loa Loa (eye worm) hypothetical protein 0.0035 0.009 0.009
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.5046 0.5001
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.594 1
Brugia malayi Dihydrofolate reductase 0.0415 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.009 0.009
Schistosoma mansoni dihydrofolate reductase 0.0415 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.009 0.009
Chlamydia trachomatis dihydrofolate reductase 0.0415 1 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.009 0.009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1543 0.1543
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0472 0.0472
Brugia malayi beta-lactamase family protein 0.0035 0.009 0.009
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.594 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0415 1 1
Brugia malayi beta-lactamase family protein 0.0035 0.009 0.009
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.3311 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.009 0.009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.1793 0.1793
Trichomonas vaginalis glucosylceramidase, putative 0.026 0.594 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0069 0.0963 0.0963
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.3311 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.1793 0.1793

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:

Affected Entity Phenotypic quality Occurs in Occurs at Evidence Observed in Targets
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium avium 256134  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10579848 10991861 11754594 12467708 12699390 12832132 14998335 15026078 15115391 15214795 15974594 17010625 9554874
catalytic activity (GO:0003824) decreased (PATO:0000468) in vitro (MI:0492) inferred from specific protein inhibition (ECO:0000020) Mycobacterium avium 5868  
Annotator: crowther@u.washington.edu Comment: 2007-12-27 References: 10579848 10991861 11754594 12467708 12699390 12832132 14998335 15026078 15115391 15214795 15974594 17010625 9554874

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

13 literature references were collected for this gene.

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