Detailed information for compound 80628

Basic information

Technical information
  • TDR Targets ID: 80628
  • Name: 2-(1-adamantyl)-1-(cyclopropylmethyl)piperidi ne
  • MW: 273.456 | Formula: C19H31N
  • H donors: 0 H acceptors: 0 LogP: 4.83 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(C(C1)C12CC3CC(C2)CC(C1)C3)CC1CC1
  • InChi: 1S/C19H31N/c1-2-6-20(13-14-4-5-14)18(3-1)19-10-15-7-16(11-19)9-17(8-15)12-19/h14-18H,1-13H2
  • InChiKey: GGLUSSBCBSGZEQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0588 0.2299
Brugia malayi Cytochrome P450 family protein 0.0021 0.0588 0.2299
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0011 0.0032 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.2559 0.2559
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.2559 0.5
Trypanosoma brucei cytochrome P450, putative 0.0021 0.0588 0.2201
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0054 0.2559 1
Schistosoma mansoni cytochrome P450 0.0011 0.0032 0.0032
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0011 0.0032 0.5
Brugia malayi Cytochrome P450 family protein 0.0011 0.0032 0.0126
Mycobacterium leprae putative cytochrome p450 0.0011 0.0032 0.5
Onchocerca volvulus 0.0011 0 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0011 0.0032 0.5
Trypanosoma brucei protein kinase, putative 0.0054 0.2559 1
Brugia malayi Cytochrome P450 family protein 0.0021 0.0588 0.2299
Loa Loa (eye worm) CYP4Cod1 0.0021 0.0588 0.2299
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0054 0.2559 1
Echinococcus multilocularis geminin 0.0179 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0588 0.2201
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0011 0.0032 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0011 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0011 0.0032 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.2559 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0011 0.0032 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.0054 0.2559 0.2559
Brugia malayi Cytochrome P450 family protein 0.0032 0.1243 0.4858
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0011 0.0032 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0011 0.0032 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0054 0.2559 1
Schistosoma mansoni hypothetical protein 0.0179 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0054 0.2559 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0011 0.0032 0.5
Schistosoma mansoni hypothetical protein 0.0011 0.0032 0.0032
Brugia malayi cytochrome P450 0.0011 0.0032 0.0126
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0011 0.0032 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0011 0.0032 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0054 0.2559 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0011 0.0032 0.5
Brugia malayi MAP kinase sur-1 0.0054 0.2559 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0588 0.2299
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0588 0.2201
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.0588 1
Mycobacterium leprae Conserved hypothetical protein 0.0011 0.0032 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0011 0.0032 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0011 0.0032 0.5
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.0032 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.1243 0.4858
Echinococcus granulosus mitogen activated protein kinase 0.0054 0.2559 0.2559
Schistosoma mansoni hypothetical protein 0.0179 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.2559 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.2559 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0011 0.0032 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0054 0.2559 0.5
Echinococcus multilocularis 0.0011 0.0032 0.0032
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0054 0.2559 1
Loa Loa (eye worm) cytochrome P450 0.0011 0.0032 0.0126
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0011 0.0032 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.0054 0.2559 0.2559
Leishmania major cytochrome p450-like protein 0.0021 0.0588 0.2201
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0011 0.0032 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0054 0.2559 1
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.2559 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0011 0.0032 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.0054 0.2559 0.2559
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0011 0.0032 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0054 0.2559 1
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0011 0.0032 0.5

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 263 uM Cytotoxic concentration of the compound required to reduce the viability of MT-4 cells by 50% ChEMBL. No reference
CC50 (functional) = 263 uM Cytotoxic concentration of the compound required to reduce the viability of MT-4 cells by 50% ChEMBL. No reference
EC50 (functional) = 75.2 uM Concentration of the compound required to protect MT-4 cells against the cytopathogenicity of HIV-1 (IIIB/LAI) ChEMBL. No reference
EC50 (functional) = 75.2 uM Concentration of the compound required to protect MT-4 cells against the cytopathogenicity of HIV-1 (IIIB/LAI) ChEMBL. No reference
EC50 (functional) > 265 uM Concentration of the compound required to protect MT-4 cells against the cytopathogenicity of HIV-2 (ROD) ChEMBL. No reference
EC50 (functional) > 265 uM Concentration of the compound required to protect MT-4 cells against the cytopathogenicity of HIV-2 (ROD) 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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