Detailed information for compound 68597

Basic information

Technical information
  • TDR Targets ID: 68597
  • Name: Cyclohexylformamide
  • MW: 127.184 | Formula: C7H13NO
  • H donors: 1 H acceptors: 1 LogP: 1.95 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CNC1CCCCC1
  • InChi: 1S/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
  • InChiKey: SWGXDLRCJNEEGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexylformamide
  • N-cyclohexylmethanamide
  • 766-93-8
  • N-Cyclohexylformamid
  • N-Zyklohexylformamid
  • CXF
  • InChI=1/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9
  • c0909
  • 120685_ALDRICH
  • Formamide, N-cyclohexyl-
  • Formamidocyclohexane
  • NSC76127
  • AE-646/31212051
  • C11519
  • NCIOpen2_000858
  • 4-12-00-00038 (Beilstein Handbook Reference)
  • AI3-16743
  • BRN 2040181
  • NSC 76127
  • SBB007682
  • CHEBI:17945

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Alcohol dehydrogenase Starlite/ChEMBL References
Homo sapiens alcohol dehydrogenase 1B (class I), beta polypeptide Starlite/ChEMBL References
Homo sapiens alcohol dehydrogenase 1C (class I), gamma polypeptide Starlite/ChEMBL References
Homo sapiens alcohol dehydrogenase 1A (class I), alpha polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Putative alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma mansoni alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum Alcohol dehydrogenase class-3, putative Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 Get druggable targets OG5_127257 All targets in OG5_127257
Candida albicans similar to C termini of C.maltosa FDH1 and S. cerevisiae SFA1 (YDL168W) glutathione-dependent formaldehyde dehydrogenase, long-c Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Toxoplasma gondii Zn-containing alcohol dehydrogenase Get druggable targets OG5_127257 All targets in OG5_127257
Brugia malayi Alcohol dehydrogenase class III Get druggable targets OG5_127257 All targets in OG5_127257
Loa Loa (eye worm) alcohol dehydrogenase class III Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum Alcohol dehydrogenase class-3, putative Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR Get druggable targets OG5_127257 All targets in OG5_127257
Neospora caninum alcohol dehydrogenase class III, putative Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma japonicum ko:K00001 alcohol dehydrogenase [EC1.1.1.1], putative Get druggable targets OG5_127257 All targets in OG5_127257
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) Get druggable targets OG5_127257 All targets in OG5_127257
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Possible dehydrogenase Alcohol dehydrogenase   374 aa 350 aa 26.0 %
Toxoplasma gondii quinone oxidoreductase, putative Alcohol dehydrogenase   374 aa 323 aa 23.8 %
Mycobacterium tuberculosis Possible dehydrogenase alcohol dehydrogenase 1A (class I), alpha polypeptide 375 aa 356 aa 27.0 %
Mycobacterium tuberculosis Possible dehydrogenase alcohol dehydrogenase 1B (class I), beta polypeptide 375 aa 352 aa 26.4 %
Candida albicans likely Zinc-binding dehydrogenase, one of two genes similar to S. cerevisiae YAL060W and BDH1 (YAL060W) butanediol dehydrogenase Alcohol dehydrogenase   374 aa 366 aa 24.6 %
Mycobacterium tuberculosis Possible dehydrogenase alcohol dehydrogenase 1C (class I), gamma polypeptide 375 aa 342 aa 27.8 %
Onchocerca volvulus Alcohol dehydrogenase   374 aa 376 aa 48.9 %
Onchocerca volvulus Putative ATP-dependent RNA helicase DDX52 Alcohol dehydrogenase   374 aa 337 aa 21.4 %
Trypanosoma cruzi oxidoreductase, putative Alcohol dehydrogenase   374 aa 318 aa 20.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0043 0.0913 0.0812
Loa Loa (eye worm) hypothetical protein 0.0068 0.1631 0.1537
Mycobacterium tuberculosis Possible dehydrogenase 0.0043 0.0913 0.0812
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0078 0.1946 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0079 0.198 1
Leishmania major zinc-binding dehydrogenase-like protein 0.0027 0.0454 0.187
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0043 0.0913 0.4371
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0353 1 1
Echinococcus multilocularis fk506 binding protein 0.0078 0.1946 0.9833
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0078 0.1946 1
Mycobacterium ulcerans oxidoreductase FadB5 0.0043 0.0913 0.0812
Loa Loa (eye worm) hypothetical protein 0.0043 0.0913 0.0812
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0078 0.1946 1
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0353 1 1
Trichomonas vaginalis immunophilin, putative 0.0078 0.1946 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0078 0.1946 0.5
Trypanosoma brucei oxidoreductase, putative 0.0043 0.0913 0.4371
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0353 1 1
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.031 0.8738 0.8724
Leishmania major nuclear receptor binding factor-like protein 0.0027 0.0454 0.187
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0043 0.0913 0.0812
Trypanosoma cruzi oxidoreductase, putative 0.0027 0.0454 0.187
Wolbachia endosymbiont of Brugia malayi NADPH:quinone reductase 0.0043 0.0913 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0454 0.0347
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0078 0.1946 0.1857
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0069 0.1664 0.8404
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0043 0.0913 0.0812
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0043 0.0913 0.0812
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0027 0.0454 0.0347
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0353 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0078 0.1946 0.5
Mycobacterium tuberculosis Probable quinone reductase Qor (NADPH:quinone reductase) (zeta-crystallin homolog protein) 0.0043 0.0913 0.0812
Leishmania major oxidoreductase, putative 0.0043 0.0913 0.4371
Mycobacterium ulcerans NADPH quinone oxidoreductase FadB4 0.0043 0.0913 0.0812
Leishmania major peptidylprolyl isomerase-like protein 0.0078 0.1946 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0043 0.0913 0.0812
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase AdhC 0.0043 0.0913 0.0812
Mycobacterium ulcerans quinone oxidoreductase 0.0043 0.0913 0.0812
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0078 0.1946 0.9823
Leishmania major d-xylulose reductase, putative 0.0043 0.0913 0.4371
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0043 0.0913 0.4371
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0043 0.0913 0.4371
Onchocerca volvulus 0.0043 0.0913 0.0481
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0078 0.1946 1
Mycobacterium tuberculosis Possible oxidoreductase FadB5 0.0043 0.0913 0.0812
Onchocerca volvulus Putative alcohol dehydrogenase 0.0353 1 1
Leishmania major zinc binding dehydrogenase-like protein 0.0043 0.0913 0.4371
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0079 0.198 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0078 0.1946 1
Trypanosoma brucei oxidoreductase, putative 0.0043 0.0913 0.4371
Trypanosoma cruzi oxidoreductase, putative 0.0043 0.0913 0.4371
Trypanosoma cruzi oxidoreductase, putative 0.0043 0.0913 0.4371
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0078 0.1946 0.5
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0043 0.0913 0.4371
Mycobacterium tuberculosis Probable NADP-dependent alcohol dehydrogenase AdhC 0.0043 0.0913 0.0812
Mycobacterium ulcerans quinone reductase Qor 0.0043 0.0913 0.0812
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0043 0.0913 0.4371
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0078 0.1946 1
Mycobacterium tuberculosis Probable NADPH quinone oxidoreductase FadB4 (NADPH:quinone reductase) (zeta-crystallin) 0.0043 0.0913 0.0812
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0078 0.1946 0.1857
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0043 0.0913 0.4293
Schistosoma mansoni immunophilin 0.0079 0.198 0.189
Mycobacterium ulcerans short-chain dehydrogenase 0.0043 0.0913 0.0812
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0078 0.1946 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0043 0.0913 0.0812
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0353 1 1
Mycobacterium ulcerans NADP-dependent alcohol dehydrogenase Adh 0.0043 0.0913 0.0812
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0043 0.0913 0.4371
Mycobacterium ulcerans oxidoreductase 0.0043 0.0913 0.0812
Loa Loa (eye worm) hypothetical protein 0.0043 0.0913 0.0812
Loa Loa (eye worm) FKBP5 protein 0.0078 0.1946 0.1857
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0078 0.1946 0.1857
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0353 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0079 0.198 1
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0353 1 1
Schistosoma mansoni immunophilin 0.0069 0.1664 0.1571
Mycobacterium tuberculosis Probable alcohol dehydrogenase AdhA 0.0043 0.0913 0.0812
Toxoplasma gondii quinone oxidoreductase, putative 0.0043 0.0913 0.0812
Trypanosoma brucei Trans-2-enoyl-ACP reductase 2, putative 0.0027 0.0454 0.187
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0027 0.0454 0.0347
Schistosoma mansoni immunophilin 0.0079 0.198 0.189
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0069 0.1664 0.831
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0078 0.1946 0.5
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0043 0.0913 0.0812
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0353 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0043 0.0913 0.0812
Mycobacterium ulcerans Zn-dependent alcohol dehydrogenase, AdhX 0.0043 0.0913 0.0812
Leishmania major fk506-binding protein 1-like protein 0.0078 0.1946 1
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.031 0.8738 0.8724
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0078 0.1946 0.5
Loa Loa (eye worm) acyl carrier protein 0.0027 0.0454 0.0347
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0078 0.1946 1
Trichomonas vaginalis fk506-binding protein, putative 0.0078 0.1946 1
Mycobacterium ulcerans oxidoreductase 0.0027 0.0454 0.0347
Mycobacterium ulcerans quinone oxidoreductase 0.0043 0.0913 0.0812
Toxoplasma gondii type I fatty acid synthase, putative 0.0043 0.0913 0.0812
Mycobacterium ulcerans dehydrogenase 0.0043 0.0913 0.0812
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0043 0.0913 0.0812
Mycobacterium tuberculosis Possible quinone oxidoreductase (NADPH:quinone oxidoreductase) (zeta-crystallin) 0.0043 0.0913 0.0812
Leishmania major quinone oxidoreductase, putative 0.0043 0.0913 0.4371
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0078 0.1946 0.1857
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0043 0.0913 0.0812
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0078 0.1946 0.1857
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0353 1 1
Echinococcus multilocularis synaptic vesicle membrane protein VAT 1 0.0016 0.011 0.0556
Schistosoma mansoni alcohol dehydrogenase 0.0353 1 1
Mycobacterium tuberculosis S-nitrosomycothiol reductase MscR 0.0043 0.0913 0.0812
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0043 0.0913 0.0812
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0043 0.0913 0.0812
Mycobacterium tuberculosis Possible dehydrogenase 0.0043 0.0913 0.0812
Loa Loa (eye worm) hypothetical protein 0.0043 0.0913 0.0812
Leishmania major oxidoreductase-like protein 0.0043 0.0913 0.4371
Mycobacterium ulcerans NADP-dependent oxidoreductase 0.0027 0.0454 0.0347
Mycobacterium tuberculosis Probable alcohol dehydrogenase Adh 0.0043 0.0913 0.0812
Schistosoma mansoni zinc binding dehydrogenase 0.0043 0.0913 0.0812
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0043 0.0913 0.461
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0043 0.0913 0.4371
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0079 0.198 1
Mycobacterium ulcerans polyketide synthase 0.0043 0.0913 0.0812

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.3 uM Inhibition of human alcohol dehydrogenase alpha activity ChEMBL. 9572895
Ki (binding) = 2.3 uM Inhibition of human alcohol dehydrogenase alpha activity ChEMBL. 9572895
Ki (binding) = 3.4 uM Inhibition of human alcohol dehydrogenase beta 1 activity ChEMBL. 9572895
Ki (binding) = 3.4 uM Inhibition of human alcohol dehydrogenase beta 1 activity ChEMBL. 9572895
Ki (binding) = 5.2 uM Inhibition of human alcohol dehydrogenase gamma2 activity ChEMBL. 9572895
Ki (binding) = 5.2 uM Inhibition of human alcohol dehydrogenase gamma2 activity ChEMBL. 9572895
Ki (binding) = 8.7 uM Inhibition of horse liver alcohol dehydrogenase activity ChEMBL. 9572895
Ki (binding) = 8.7 uM Inhibition of horse liver alcohol dehydrogenase activity ChEMBL. 9572895
Ki (binding) = 84 uM Inhibition of human alcohol dehydrogenase pi activity ChEMBL. 9572895
Ki (binding) = 84 uM Inhibition of human alcohol dehydrogenase pi activity ChEMBL. 9572895
Ki (binding) = 380 uM Inhibition of human alcohol dehydrogenase sigma activity ChEMBL. 9572895
Ki (binding) = 380 uM Inhibition of human alcohol dehydrogenase sigma activity ChEMBL. 9572895

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

1 literature reference was collected for this gene.

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