Detailed information for compound 1343230

Basic information

Technical information
  • TDR Targets ID: 1343230
  • Name: N-(2-methylphenyl)-7-phenylbicyclo[3.1.1]hept ane-6-carboxamide
  • MW: 305.413 | Formula: C21H23NO
  • H donors: 1 H acceptors: 1 LogP: 4.87 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1C2CCCC1C2c1ccccc1)Nc1ccccc1C
  • InChi: 1S/C21H23NO/c1-14-8-5-6-13-18(14)22-21(23)20-16-11-7-12-17(20)19(16)15-9-3-2-4-10-15/h2-6,8-10,13,16-17,19-20H,7,11-12H2,1H3,(H,22,23)
  • InChiKey: HKAPEJUHOSORBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-methylphenyl)-7-phenyl-norpinane-6-carboxamide
  • N-(2-methylphenyl)-7-phenyl-6-norpinanecarboxamide
  • N-(2-methylphenyl)-7-phenyl-bicyclo[3.1.1]heptane-6-carboxamide
  • Oprea1_390248
  • MLS000563252
  • SMR000175685
  • Oprea1_267447
  • 7-Phenyl-bicyclo[3.1.1]heptane-6-carboxylic acid o-tolylamide
  • BAS 00647104

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Echinococcus granulosus caspase 0.0345 0.3738 0.7641
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.2106 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.2106 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Onchocerca volvulus 0.0033 0.018 0.0255
Plasmodium vivax vivapain-2 0.0033 0.018 0.0857
Trypanosoma brucei metacaspase 5, putative 0.0202 0.2106 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Plasmodium falciparum metacaspase-like protein 0.0202 0.2106 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0025 0.0052
Brugia malayi Cathepsin L-like precursor 0.0033 0.018 0.0369
Onchocerca volvulus Cathepsin L homolog 0.0033 0.018 0.0255
Echinococcus multilocularis caspase 8 0.0202 0.2106 0.4304
Onchocerca volvulus 0.0033 0.018 0.0255
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Trypanosoma cruzi cysteine peptidase, putative 0.0124 0.1226 0.5825
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Schistosoma mansoni caspase-7 (C14 family) 0.0345 0.3738 0.7641
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Loa Loa (eye worm) cysteine protease 0.0033 0.018 0.0319
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Plasmodium falciparum metacaspase 1 0.0202 0.2106 1
Brugia malayi Cathepsin L-like precursor 0.0033 0.018 0.0369
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Trypanosoma brucei Metacaspase-4 0.0202 0.2106 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Trypanosoma cruzi cysteine peptidase, putative 0.0124 0.1226 0.5825
Loa Loa (eye worm) hypothetical protein 0.006 0.0495 0.0964
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.018 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0033 0.018 0.0369
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.2106 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.018 0.0369
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0202 0.2106 0.4304
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0025 0.0052
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Brugia malayi Cathepsin L-like precursor 0.0022 0.0057 0.0117
Loa Loa (eye worm) hypothetical protein 0.0202 0.2106 0.4275
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0033 0.018 0.0857
Schistosoma mansoni hypothetical protein 0.0041 0.0277 0.0567
Onchocerca volvulus 0.0033 0.018 0.0255
Loa Loa (eye worm) hypothetical protein 0.0033 0.018 0.0319
Onchocerca volvulus 0.0033 0.018 0.0255
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0277 0.0567
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Brugia malayi Cathepsin L-like precursor 0.0033 0.018 0.0369
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Trypanosoma cruzi cysteine peptidase, putative 0.0124 0.1226 0.5825
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0202 0.2106 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0345 0.3738 0.7641
Mycobacterium ulcerans proteasome PrcA 0.0894 1 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0025 0.0052
Brugia malayi cathepsin L-like precursor 0.0022 0.0057 0.0117
Echinococcus multilocularis cysteine protease 0.0033 0.018 0.0369
Onchocerca volvulus Cathepsin L homolog 0.0033 0.018 0.0255
Echinococcus granulosus cathepsin l1 0.0033 0.018 0.0369
Trypanosoma brucei metacaspase MCA3 0.0202 0.2106 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0114 0.1103 0.524
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.018 0.0369
Loa Loa (eye worm) hypothetical protein 0.0041 0.0277 0.0518
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.018 0.0369
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0025 0.0052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Trypanosoma cruzi cruzipain precursor, putative 0.0124 0.1226 0.5825
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Brugia malayi Cell death protein 3 precursor 0.0446 0.4892 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0202 0.2106 0.4304
Trypanosoma cruzi metacaspase, putative 0.0202 0.2106 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0244 0.2595 0.5304
Trypanosoma cruzi metacaspase, putative 0.0202 0.2106 1
Onchocerca volvulus 0.0033 0.018 0.0255
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.018 0.0369
Echinococcus granulosus cathepsin l1 0.0022 0.0057 0.0117
Onchocerca volvulus 0.0033 0.018 0.0255
Echinococcus multilocularis caspase 2 0.0446 0.4892 1
Plasmodium vivax metacaspase 1, putative 0.0202 0.2106 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0057 0.0273
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0202 0.2106 1
Onchocerca volvulus 0.0244 0.2595 0.5248
Schistosoma mansoni caspase-3 (C14 family) 0.0345 0.3738 0.7641
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0033 0.018 0.0857
Trypanosoma brucei metacaspase MCA2 0.0202 0.2106 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0033 0.018 0.0369
Leishmania major cathepsin L-like protease 0.0124 0.1226 0.5433
Plasmodium falciparum cysteine proteinase falcipain 3 0.0033 0.018 0.0857
Onchocerca volvulus Cell death protein 3 homolog 0.0446 0.4892 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0057 0.0273
Brugia malayi Cathepsin L-like precursor 0.0022 0.0057 0.0117
Brugia malayi hypothetical protein 0.0244 0.2595 0.5304
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.2106 1
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.018 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Brugia malayi Cathepsin L-like precursor 0.0033 0.018 0.0369
Loa Loa (eye worm) hypothetical protein 0.0244 0.2595 0.5279
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0495 0.1011
Loa Loa (eye worm) ctsf protein 0.0033 0.018 0.0319
Leishmania major cathepsin L-like protease 0.0124 0.1226 0.5433
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0495 0.1011
Trypanosoma cruzi metacaspase 5, putative 0.0202 0.2106 1
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.018 0.0857
Echinococcus multilocularis GPCR, family 2 0.0019 0.0025 0.0052
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0495 0.0964
Loa Loa (eye worm) hypothetical protein 0.0022 0.0057 0.0066
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.018 0.0369
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Schistosoma mansoni hypothetical protein 0.0019 0.0025 0.0052
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.0894 1 0.5
Trypanosoma cruzi metacaspase 5, putative 0.0202 0.2106 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.018 0.0369
Schistosoma mansoni caspase-7 (C14 family) 0.0446 0.4892 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0057 0.0066
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Entamoeba histolytica cysteine protease, putative 0.0033 0.018 1
Plasmodium vivax hypothetical protein, conserved 0.0202 0.2106 1
Brugia malayi Cathepsin L-like precursor 0.0033 0.018 0.0369
Leishmania major cathepsin L-like protease 0.0124 0.1226 0.5433
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Trypanosoma cruzi metacaspase, putative 0.0202 0.2106 1
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.2106 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0057 0.0066
Echinococcus multilocularis caspase 0.0345 0.3738 0.7641
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0025 0.0052
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0033 0.018 0.0319
Onchocerca volvulus 0.0033 0.018 0.0255
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0033 0.018 0.0319
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0057 0.3182
Trypanosoma cruzi metacaspase, putative 0.0202 0.2106 1
Plasmodium vivax vivapain-2 0.0033 0.018 0.0857
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.018 0.0857
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.018 0.0857
Echinococcus granulosus caspase 2 0.0446 0.4892 1
Echinococcus multilocularis caspase 3 0.0143 0.1441 0.2945
Trichomonas vaginalis conserved hypothetical protein 0.0202 0.2106 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0202 0.2106 1
Schistosoma mansoni hypothetical protein 0.0019 0.0025 0.0052
Loa Loa (eye worm) hypothetical protein 0.0446 0.4892 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Schistosoma mansoni hypothetical protein 0.0244 0.2595 0.5304
Trypanosoma brucei metacaspase 0.0202 0.2106 1
Onchocerca volvulus Cathepsin F homolog 0.0033 0.018 0.0255
Echinococcus granulosus GPCR family 2 0.0019 0.0025 0.0052
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0025 0.0052
Schistosoma mansoni hypothetical protein 0.0019 0.0025 0.0052
Echinococcus granulosus apoptotic protease activating factor 1 0.0244 0.2595 0.5304
Leishmania major metacaspase, putative 0.0202 0.2106 1
Echinococcus multilocularis cysteine protease 0.0033 0.018 0.0369
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0345 0.3738 0.7641
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0057 0.0117
Trypanosoma cruzi major cysteine proteinase, putative 0.0098 0.0923 0.4383
Loa Loa (eye worm) fibroinase 0.0033 0.018 0.0319
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0202 0.2106 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.018 0.0857
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.018 0.0369
Schistosoma mansoni hypothetical protein 0.0019 0.0025 0.0052
Brugia malayi Cathepsin L-like precursor 0.0033 0.018 0.0369
Brugia malayi Cathepsin L-like cysteine proteinase 0.0022 0.0057 0.0117
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.018 0.0857
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0124 0.1226 0.5825
Echinococcus granulosus caspase 8 0.0202 0.2106 0.4304
Echinococcus granulosus caspase 3 0.0143 0.1441 0.2945

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] 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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