Detailed information for compound 1369271

Basic information

Technical information
  • TDR Targets ID: 1369271
  • Name: N-(3,5,7-trimethyl-1-adamantyl)pyrrolidine-1- carboxamide
  • MW: 290.444 | Formula: C18H30N2O
  • H donors: 1 H acceptors: 1 LogP: 3.9 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCCC1)NC12CC3(C)CC(C2)(CC(C1)(C3)C)C
  • InChi: 1S/C18H30N2O/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)19-14(21)20-6-4-5-7-20/h4-13H2,1-3H3,(H,19,21)
  • InChiKey: IYHMIMHTYZCMKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3,5,7-trimethyl-1-adamantyl)-1-pyrrolidinecarboxamide
  • MLS000535015
  • SMR000142451
  • ZINC04872764

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.4782 0.462
Schistosoma mansoni transient receptor potential channel 4 0.0117 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.4647 0.4647
Schistosoma mansoni transient receptor potential channel 0.0117 1 1
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.9486 0.947
Loa Loa (eye worm) hypothetical protein 0.0044 0.0321 0.0321
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4647 0.4647
Brugia malayi hypothetical protein 0.0043 0.0302 0.0649
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0321 0.002
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.4782 0.462
Brugia malayi RNA binding protein 0.0076 0.4647 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.4782 0.462
Schistosoma mansoni hypothetical protein 0.0043 0.0302 0.0302
Entamoeba histolytica hypothetical protein 0.0043 0.0302 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4647 0.4647
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4647 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.4782 0.462
Entamoeba histolytica hypothetical protein 0.0043 0.0302 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2504 0.2504
Entamoeba histolytica hypothetical protein 0.0043 0.0302 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4647 0.4647
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.9486 0.947
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4647 0.448
Loa Loa (eye worm) hypothetical protein 0.006 0.2504 0.2504
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4647 0.4647
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0321 0.069
Schistosoma mansoni transient receptor potential channel 0.0078 0.4782 0.4782
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4647 0.4647
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4647 0.4647
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0302 0.0302
Schistosoma mansoni transient receptor potential channel 0.0078 0.4782 0.4782
Entamoeba histolytica hypothetical protein 0.0043 0.0302 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.4647 0.448
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2504 0.5389
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2504 0.5389
Loa Loa (eye worm) hypothetical protein 0.0117 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.4269 0.4269
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4647 0.4647
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0321 0.002
Brugia malayi TAR-binding protein 0.0076 0.4647 1

Activities

Activity type Activity value Assay description Source Reference
AbsAC1000_uM (functional) = 1.7 uM PUBCHEM_BIOASSAY: In vivo-based yeast HTS to detect compounds rescuing yeast growth/survival of Plasmodium Falciparum HSP40-mediated toxicity Measured in Whole Organism System Using Plate Reader - 2120-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504552] ChEMBL. No reference
AbsAC35 (functional) = 14.91 uM PubChem BioAssay. Cell-based secondary assay to test the inhibitory activity of small molecule on Plasmodium flaciparum (HB3 strain) survival in red blood cells Measured in Cell-Based System Using Plate Reader - 2120-06_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
AbsAC35 (functional) = 22.25 uM PubChem BioAssay. Cell-based secondary assay to test the inhibitory activity of small molecule on Plasmodium flaciparum (3D7 strain) survival in red blood cells Measured in Cell-Based System Using Plate Reader - 2120-05_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 7.4973 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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