Detailed information for compound 69299

Basic information

Technical information
  • TDR Targets ID: 69299
  • Name: N,N-dicyclopentylformamide
  • MW: 181.275 | Formula: C11H19NO
  • H donors: 0 H acceptors: 1 LogP: 2.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN(C1CCCC1)C1CCCC1
  • InChi: 1S/C11H19NO/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11/h9-11H,1-8H2
  • InChiKey: POFVZZUUHSLXHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dicyclopentylmethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 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 Alcohol dehydrogenase class-3, putative 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 leprae Probable S-nitrosomycothiol reductase MscR Get druggable targets OG5_127257 All targets in OG5_127257
Schistosoma mansoni alcohol dehydrogenase 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
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 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
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 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
Onchocerca volvulus Putative alcohol dehydrogenase 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
Schistosoma japonicum ko:K00001 alcohol dehydrogenase [EC1.1.1.1], putative 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-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
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 tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 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 1A (class I), alpha polypeptide 375 aa 356 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) N-myristoyltransferase 2 0.0419 0.1404 0.1404
Loa Loa (eye worm) hypothetical protein 0.0179 0.0532 0.0532
Echinococcus multilocularis thyroid hormone receptor alpha 0.1357 0.4813 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0088 0.0204 0.5
Brugia malayi conserved hypotetical protein 0.0084 0.0189 0.0244
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0179 0.0532 0.0532
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0179 0.0532 0.1279
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0179 0.0532 0.0687
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0179 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0094 0.0226 0.0226
Echinococcus granulosus p2X purinoceptor 4 0.0287 0.0924 0.222
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0094 0.0226 0.0543
Brugia malayi photoreceptor-specific nuclear receptor 0.0179 0.0532 0.0687
Brugia malayi hypothetical protein 0.0094 0.0226 0.0292
Echinococcus multilocularis ecdysone induced protein 78C 0.0179 0.0532 0.1106
Schistosoma mansoni nuclear receptor 0.0084 0.0189 0.0393
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0084 0.0189 0.0393
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0179 0.0532 0.1279
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0179 0.0532 0.1106
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0084 0.0189 0.0244
Trypanosoma brucei N-myristoyl transferase, putative 0.0419 0.1404 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0179 0.0532 0.1106
Schistosoma mansoni nuclear hormone receptor 0.0084 0.0189 0.0393
Echinococcus granulosus p2X purinoceptor 4 0.0287 0.0924 0.222
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0084 0.0189 0.0393
Onchocerca volvulus Protein ultraspiracle homolog 0.0179 0.0532 1
Brugia malayi nuclear hormone receptor 0.0084 0.0189 0.0244
Schistosoma mansoni P2X receptor subunit 0.0287 0.0924 0.192
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0179 0.0532 0.1279
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0084 0.0189 0.0189
Echinococcus granulosus Nuclear hormone receptor HR96 0.0084 0.0189 0.0455
Echinococcus granulosus ecdysone induced protein 78C 0.0179 0.0532 0.1279
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0088 0.0204 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0094 0.0226 0.047
Schistosoma mansoni hypothetical protein 0.1178 0.4164 0.865
Brugia malayi nuclear receptor NHR-88 0.0179 0.0532 0.0687
Schistosoma mansoni coup transcription factor 0.0179 0.0532 0.1106
Loa Loa (eye worm) hypothetical protein 0.0094 0.0226 0.0226
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Brugia malayi Nuclear hormone receptor-like 1 0.2165 0.7749 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0084 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0094 0.0226 0.0226
Brugia malayi N-myristoyltransferase 2 0.0419 0.1404 0.1812
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0088 0.0204 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0179 0.0532 0.1106
Schistosoma mansoni nuclear receptor nhr-48 0.0084 0.0189 0.0393
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0088 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0179 0.0532 0.0532
Brugia malayi nuclear receptor RXR 0.0084 0.0189 0.0244
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0179 0.0532 0.0687
Brugia malayi Steroid receptor seven-up type 2 0.0179 0.0532 0.0687
Echinococcus multilocularis p2X purinoceptor 4 0.0287 0.0924 0.192
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.1178 0.4164 0.865
Loa Loa (eye worm) hypothetical protein 0.207 0.7406 0.7406
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0094 0.0226 0.047
Loa Loa (eye worm) hypothetical protein 0.2784 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0179 0.0532 0.1279
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0179 0.0532 0.0687
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0088 0.0204 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0084 0.0189 0.0455
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.2784 1 1
Loa Loa (eye worm) DR-78 0.0084 0.0189 0.0189
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0179 0.0532 0.1106
Brugia malayi hypothetical protein 0.0094 0.0226 0.0292
Schistosoma mansoni retinoic acid receptor RXR 0.0179 0.0532 0.1106
Brugia malayi hypothetical protein 0.0084 0.0189 0.0244
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0084 0.0189 0.0455
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0419 0.1404 0.5
Echinococcus granulosus nuclear receptor nhr 48 0.0084 0.0189 0.0455
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0179 0.0532 0.1106
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0179 0.0532 0.0687
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0419 0.1404 1
Brugia malayi tailless protein 0.0084 0.0189 0.0244
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0179 0.0532 0.0532
Toxoplasma gondii hypothetical protein 0.2784 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0179 0.0532 1
Brugia malayi steroid hormone receptor 0.0179 0.0532 0.0687
Trypanosoma cruzi N-myristoyl transferase, putative 0.0419 0.1404 1
Trypanosoma brucei N-myristoyltransferase 0.0419 0.1404 1
Brugia malayi Nuclear hormone receptor E75 0.0084 0.0189 0.0244
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0179 0.0532 0.1279
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0179 0.0532 0.0687
Schistosoma mansoni thyroid hormone receptor 0.1357 0.4813 1
Schistosoma mansoni nuclear receptor 0.0084 0.0189 0.0393
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0179 0.0532 0.1279
Brugia malayi orphan nuclear receptor NR2E1 0.0084 0.0189 0.0244
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0179 0.0532 0.1279
Loa Loa (eye worm) hypothetical protein 0.0179 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0179 0.0532 0.0532
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0179 0.0532 0.0532
Echinococcus multilocularis FTZ F1 alpha 0.0179 0.0532 0.1106
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0084 0.0189 0.0393
Echinococcus granulosus p2X purinoceptor 4 0.0287 0.0924 0.222
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0084 0.0189 0.0393
Schistosoma mansoni thyroid hormone receptor 0.1357 0.4813 1
Brugia malayi ecdysteroid receptor 0.0179 0.0532 0.0687
Schistosoma mansoni alcohol dehydrogenase 0.0088 0.0204 0.0423
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0419 0.1404 0.5
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0088 0.0204 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 0.0532 0.0532
Brugia malayi hypothetical protein 0.0084 0.0189 0.0244
Schistosoma mansoni P2X receptor subunit 0.0287 0.0924 0.192
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0179 0.0532 0.0532
Schistosoma mansoni P2X receptor subunit 0.0287 0.0924 0.192
Brugia malayi nuclear hormone receptor family member odr-7 0.0084 0.0189 0.0244
Brugia malayi nuclear receptor NHR-88 0.0084 0.0189 0.0244
Brugia malayi Nuclear hormone receptor-like 1 0.208 0.7443 0.9605
Loa Loa (eye worm) nuclear hormone receptor 0.0084 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0179 0.0532 0.0532
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0179 0.0532 0.1106
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.2784 1 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.1178 0.4164 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0084 0.0189 0.0393
Schistosoma mansoni nuclear hormone receptor 0.0084 0.0189 0.0393
Loa Loa (eye worm) hypothetical protein 0.0094 0.0226 0.0226
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0179 0.0532 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.0532 0.0532
Onchocerca volvulus 0.0179 0.0532 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0179 0.0532 0.1106
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0419 0.1404 0.2917
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0179 0.0532 0.0687
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0179 0.0532 0.0687
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0419 0.1404 0.3372
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0088 0.0204 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0179 0.0532 0.0532
Schistosoma mansoni steroid hormone receptor ad4bp 0.0179 0.0532 0.1106
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0084 0.0189 0.0393
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0179 0.0532 0.0687
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0084 0.0189 0.0455
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0179 0.0532 0.1106
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0088 0.0204 0.0204
Loa Loa (eye worm) steroid hormone receptor 0.0179 0.0532 0.0532
Brugia malayi nuclear hormone receptor 0.0179 0.0532 0.0687
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0179 0.0532 0.0687
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Echinococcus multilocularis p2X purinoceptor 4 0.0287 0.0924 0.192
Onchocerca volvulus Putative alcohol dehydrogenase 0.0088 0.0204 0.042
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0179 0.0532 0.1106
Brugia malayi nuclear receptor RXR 0.0094 0.0226 0.0292
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0094 0.0226 0.0226
Echinococcus granulosus FTZ F1 alpha 0.0179 0.0532 0.1279
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0179 0.0532 0.0687
Brugia malayi nuclear receptor NHR-67 0.0084 0.0189 0.0244
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0179 0.0532 0.0687
Schistosoma mansoni zinc finger protein 0.0084 0.0189 0.0393
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0084 0.0189 0.0393
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.208 0.7443 0.7443
Loa Loa (eye worm) hypothetical protein 0.0179 0.0532 0.0532
Schistosoma mansoni RAR-like nuclear receptor 0.0179 0.0532 0.1106
Schistosoma mansoni N-myristoyltransferase 0.0419 0.1404 0.2917
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0179 0.0532 0.1106
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0088 0.0204 0.5
Echinococcus multilocularis p2X purinoceptor 4 0.0287 0.0924 0.192
Brugia malayi Nuclear hormone receptor-like 1 0.208 0.7443 0.9605
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0179 0.0532 0.0687
Brugia malayi Alcohol dehydrogenase class III 0.0088 0.0204 0.0263
Brugia malayi nuclear hormone receptor family member nhr-6 0.0084 0.0189 0.0244
Loa Loa (eye worm) hypothetical protein 0.0179 0.0532 0.0532
Leishmania major N-myristoyl transferase, putative 0.0419 0.1404 1
Trypanosoma cruzi N-myristoyl transferase, putative 0.0419 0.1404 1
Schistosoma mansoni P2X receptor subunit 0.0287 0.0924 0.192
Brugia malayi Nuclear hormone receptor E75 0.0084 0.0189 0.0244
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0084 0.0189 0.0393
Giardia lamblia CDC72 0.0419 0.1404 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0094 0.0226 0.047
Brugia malayi ecdysone receptor 0.0084 0.0189 0.0244
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0179 0.0532 0.1106
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0179 0.0532 0.1106
Loa Loa (eye worm) hypothetical protein 0.0084 0.0189 0.0189
Schistosoma mansoni nuclear hormone receptor 0.0179 0.0532 0.1106
Echinococcus granulosus Nuclear hormone receptor HR96 0.0084 0.0189 0.0455
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0179 0.0532 0.0687
Trichomonas vaginalis N-myristoyl transferase, putative 0.0419 0.1404 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) uM Inhibitory activity against human alcohol dehydrogenase pi; ND=not determined ChEMBL. 9572895
Ki (binding) uM Inhibitory activity against human alcohol dehydrogenase sigma; ND=not determined ChEMBL. 9572895
Ki (binding) 0 uM Inhibitory activity against human alcohol dehydrogenase pi; ND=not determined ChEMBL. 9572895
Ki (binding) 0 uM Inhibitory activity against human alcohol dehydrogenase sigma; ND=not determined ChEMBL. 9572895
Ki (binding) = 7.4 uM Inhibition of human alcohol dehydrogenase alpha activity ChEMBL. 9572895
Ki (binding) = 7.4 uM Inhibition of human alcohol dehydrogenase alpha activity ChEMBL. 9572895
Ki (binding) = 1000 uM Inhibition of human alcohol dehydrogenase gamma2 activity ChEMBL. 9572895
Ki (binding) = 1000 uM Inhibition of human alcohol dehydrogenase gamma2 activity ChEMBL. 9572895
Ki (binding) = 1600 uM Inhibition of human alcohol dehydrogenase beta 1 activity ChEMBL. 9572895
Ki (binding) = 1600 uM Inhibition of human alcohol dehydrogenase beta 1 activity ChEMBL. 9572895
Ki (binding) = 2600 uM Inhibition of horse liver alcohol dehydrogenase activity ChEMBL. 9572895
Ki (binding) = 2600 uM Inhibition of horse liver alcohol dehydrogenase 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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