Detailed information for compound 1608306

Basic information

Technical information
  • TDR Targets ID: 1608306
  • Name: 1-(4-methyl-1-cyclohex-3-enyl)ethanone
  • MW: 138.207 | Formula: C9H14O
  • H donors: 0 H acceptors: 1 LogP: 1.34 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=CCC(CC1)C(=O)C
  • InChi: 1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3
  • InChiKey: HOBBEYSRFFJETF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 70286-20-3
  • 6090-09-1
  • NCI60_010892
  • .+/-.-4-Acetyl-1-methylcyclohexene
  • 4-Acetyl-1-methylcyclohexene
  • 1-(4-Methyl-3-cyclohexen-1-yl)ethanone
  • AIDS-134518
  • AIDS134518
  • NSC632952
  • ST5411767
  • Ethanone, 1-(4-methyl-3-cyclohexen-1-yl)-
  • 4-Acetyl-1-methyl-1-cyclohexene

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

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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.
 
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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