Detailed information for compound 1869546

Basic information

Technical information
  • TDR Targets ID: 1869546
  • Name: 2,4-Dimethylcyclohex-3-ene-1-carbaldehyde
  • MW: 138.207 | Formula: C9H14O
  • H donors: 0 H acceptors: 1 LogP: 1.45 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1C=C(C)CCC1C=O
  • InChi: 1S/C9H14O/c1-7-3-4-9(6-10)8(2)5-7/h5-6,8-9H,3-4H2,1-2H3
  • InChiKey: MZZRKEIUNOYYDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,4-dimethyl-1-cyclohex-3-enecarboxaldehyde
  • 68737-61-1
  • 144046-32-2
  • 68039-49-6
  • W524409_ALDRICH
  • W513806_ALDRICH
  • 2,4-Dimethyl-3-cyclohexene carboxaldehyde
  • 2,4-Dimethyl-cyclohex-3-enecarbaldehyde
  • BAS 01153239
  • 3-Cyclohexene-1-carboxaldehyde, 2,4-dimethyl-
  • 3-Cyclohexenene-1-carboxaldehyde, 2,4-dimethyl
  • 4-Formyl-1,3-dimethylcyclohex-1-ene
  • EINECS 268-264-1
  • 3-Cyclohexene-1-carboxaldehyde, 2,4(or 3,5)-dimethyl-
  • 2,4(or 3,5)-Dimethylcyclohex-3-ene-1-carbaldehyde
  • EINECS 272-113-5
  • 2,4-Dimethyl-3-cyclohexenecarboxaldehyde
  • A1994/0083786

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
Schistosoma mansoni family S10 unassigned peptidase (S10 family) 0.197 0.8935 0.8935
Echinococcus granulosus death domain containing protein 0.0017 0.0047 0.0039
Echinococcus granulosus BC026374 protein S09 family 0.0343 0.1527 0.152
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0157 0.0315
Leishmania major dihydrofolate reductase-thymidylate synthase 0.2204 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0009 0.0008 0.0008
Echinococcus granulosus nuclear factor of activated T cells 5 0.0089 0.0373 0.0365
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0008 0.0008
Loa Loa (eye worm) acetylcholinesterase 1 0.2027 0.9194 0.9193
Onchocerca volvulus Uncharacterized serine carboxypeptidase homolog 0.197 0.8935 0.893
Echinococcus granulosus para nitrobenzyl esterase 0.0343 0.1527 0.152
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0008 0.0008
Schistosoma mansoni BC026374 protein (S09 family) 0.0343 0.1527 0.1527
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2027 0.9194 0.9194
Echinococcus multilocularis family S10 non peptidase ue (S10 family) 0.1776 0.8048 0.8047
Echinococcus multilocularis netrin receptor unc 5 0.0017 0.0047 0.0039
Loa Loa (eye worm) carboxylesterase 0.0343 0.1527 0.152
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.2204 1 1
Echinococcus granulosus family S10 non peptidase ue S10 family 0.1776 0.8048 0.8047
Loa Loa (eye worm) hypothetical protein 0.0039 0.0144 0.0136
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0343 0.1527 0.152
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0027 0.0019
Brugia malayi Carboxylesterase family protein 0.0343 0.1527 0.152
Brugia malayi Carboxylesterase family protein 0.0343 0.1527 0.152
Schistosoma mansoni neuroligin 3 (S09 family) 0.0343 0.1527 0.1527
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0017 0.0047 0.0039
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0343 0.1527 0.1527
Echinococcus granulosus netrin receptor unc 5 0.0017 0.0047 0.0039
Onchocerca volvulus 0.0343 0.1527 0.1487
Brugia malayi Immunoglobulin I-set domain containing protein 0.0017 0.0047 0.0039
Schistosoma mansoni gliotactin 0.0343 0.1527 0.1527
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0017 0.0047 0.0039
Loa Loa (eye worm) hypothetical protein 0.2027 0.9194 0.9193
Echinococcus granulosus carboxylesterase 5A 0.2027 0.9194 0.9193
Loa Loa (eye worm) hypothetical protein 0.0343 0.1527 0.152
Loa Loa (eye worm) hypothetical protein 0.0018 0.0048 0.004
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0171 0.0163
Echinococcus granulosus thymidylate synthase 0.2204 1 1
Brugia malayi Carboxylesterase family protein 0.2027 0.9194 0.9193
Loa Loa (eye worm) hypothetical protein 0.0013 0.0027 0.0019
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0008 0.0008
Brugia malayi hypothetical protein 0.1049 0.4741 0.4736
Trichomonas vaginalis spcc417.12 protein, putative 0.0343 0.1527 0.3209
Echinococcus multilocularis acetylcholinesterase 0.2027 0.9194 0.9193
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0027 0.0027
Echinococcus multilocularis para nitrobenzyl esterase 0.0343 0.1527 0.152
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0171 0.0163
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0189 0.0189
Onchocerca volvulus 0.0343 0.1527 0.1487
Echinococcus multilocularis neuroligin 0.0343 0.1527 0.152
Echinococcus multilocularis Ankyrin 0.0018 0.0048 0.004
Loa Loa (eye worm) carboxylesterase 0.0343 0.1527 0.152
Trichomonas vaginalis conserved hypothetical protein 0.1049 0.4741 1
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0027 0.0019
Schistosoma mansoni acetylcholinesterase 0.0343 0.1527 0.1527
Schistosoma mansoni ankyrin 23/unc44 0.0017 0.0047 0.0047
Onchocerca volvulus 0.0343 0.1527 0.1487
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.197 0.8935 0.7975
Loa Loa (eye worm) hypothetical protein 0.197 0.8935 0.8934
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.197 0.8935 0.7975
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.2204 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0157 0.0315
Brugia malayi Carboxylesterase family protein 0.0343 0.1527 0.152
Echinococcus granulosus lysosomal protective protein 0.197 0.8935 0.8934
Echinococcus multilocularis thymidylate synthase 0.2204 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0047 0.0039
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0343 0.1527 0.1527
Loa Loa (eye worm) hypothetical protein 0.0343 0.1527 0.152
Echinococcus multilocularis BC026374 protein (S09 family) 0.0343 0.1527 0.152
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.2204 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0189 0.0189
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.2204 1 0.5
Echinococcus granulosus acetylcholinesterase 0.2027 0.9194 0.9193
Loa Loa (eye worm) thymidylate synthase 0.2204 1 1
Echinococcus granulosus acetylcholinesterase 0.2027 0.9194 0.9193
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0027 0.0019
Loa Loa (eye worm) hypothetical protein 0.0343 0.1527 0.152
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0008 0.0008
Echinococcus multilocularis acetylcholinesterase 0.2027 0.9194 0.9193
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.197 0.8935 0.7975
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0018 0.0048 0.0048
Echinococcus multilocularis carboxylesterase 5A 0.2027 0.9194 0.9193
Loa Loa (eye worm) hypothetical protein 0.0343 0.1527 0.152
Brugia malayi Serine carboxypeptidase F41C3.5 precursor 0.197 0.8935 0.8934
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0027 0.0019
Onchocerca volvulus 0.0343 0.1527 0.1487
Brugia malayi Carboxylesterase family protein 0.2027 0.9194 0.9193
Schistosoma mansoni hypothetical protein 0.0017 0.0047 0.0047
Onchocerca volvulus 0.2204 1 1
Brugia malayi Death domain containing protein 0.0017 0.0047 0.0039
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.2204 1 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.2204 1 1
Brugia malayi Uncoordinated protein 44 0.0017 0.0047 0.0039
Mycobacterium ulcerans thymidylate synthase 0.2204 1 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.2204 1 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0171 0.0163
Schistosoma mansoni lysosomal protective protein precursor (cathepsin A) (carboxypeptidase 0.0195 0.0854 0.0854
Brugia malayi hypothetical protein 0.0343 0.1527 0.152
Loa Loa (eye worm) hypothetical protein 0.0343 0.1527 0.152
Loa Loa (eye worm) carboxylesterase 0.2027 0.9194 0.9193
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0008 0.0008
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0343 0.1527 0.152
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0027 0.0027
Brugia malayi Carboxylesterase family protein 0.0343 0.1527 0.152
Echinococcus granulosus Ankyrin 0.0018 0.0048 0.004
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0017 0.0047 0.0039
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0343 0.1527 0.3209
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0343 0.1527 0.1527
Loa Loa (eye worm) hypothetical protein 0.0343 0.1527 0.152
Loa Loa (eye worm) hypothetical protein 0.2027 0.9194 0.9193
Mycobacterium tuberculosis Hypothetical protein 0.1049 0.4741 0.3793
Loa Loa (eye worm) hypothetical protein 0.0343 0.1527 0.152
Echinococcus multilocularis lysosomal protective protein 0.197 0.8935 0.8934
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.197 0.8935 0.7975
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.2204 1 0.5
Echinococcus granulosus neuroligin 0.0343 0.1527 0.152
Schistosoma mansoni netrin receptor unc5 0.0017 0.0047 0.0047
Schistosoma mansoni family S10 non-peptidase homologue (S10 family) 0.197 0.8935 0.8935
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0089 0.0373 0.0365
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0027 0.0019
Onchocerca volvulus 0.0343 0.1527 0.1487
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0171 0.0163
Brugia malayi Protein kinase domain containing protein 0.0017 0.0047 0.0039

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) Inhibition of 2,6-dimethylpyrazine-induced odor assessed as strength of odor on cloth smelled by subjects ChEMBL. No reference
Inhibition (functional) >= 40 % Antagonist activity at human OR5K1 expressed in HEK293 cells assessed as inhibition of 2,6-dimethylpyrazine-induced response at 100 uM by luciferase reporter gene assay ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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