Detailed information for compound 1392166

Basic information

Technical information
  • TDR Targets ID: 1392166
  • Name: 2-ethoxy-N-(9-propyl-9-azabicyclo[3.3.1]nonan -7-yl)benzamide
  • MW: 330.464 | Formula: C20H30N2O2
  • H donors: 1 H acceptors: 1 LogP: 4 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN1C2CCCC1CC(C2)NC(=O)c1ccccc1OCC
  • InChi: 1S/C20H30N2O2/c1-3-12-22-16-8-7-9-17(22)14-15(13-16)21-20(23)18-10-5-6-11-19(18)24-4-2/h5-6,10-11,15-17H,3-4,7-9,12-14H2,1-2H3,(H,21,23)
  • InChiKey: ZJDIMJHGWXGDLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ASN 06222579
  • 2-Ethoxy-N-(9-propyl-9-aza-bicyclo[3.3.1]non-3-yl)-benzamide
  • MLS000026824
  • SMR000006230

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
Echinococcus granulosus GPCR family 2 0.051 0.3095 0.377
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0041 0.0371
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0041 0.0041
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0245 0.0299
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0133 0.0732 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0133 0.0732 1
Schistosoma mansoni hypothetical protein 0.051 0.3095 0.377
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0133 0.0732 0.0892
Loa Loa (eye worm) hypothetical protein 0.1101 0.6804 0.6804
Loa Loa (eye worm) hypothetical protein 0.0207 0.1196 0.1196
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0133 0.0732 0.0892
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0.0072 0.0117
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0245 0.0245
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.051 0.3095 0.377
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0018 0.0015 0.0024
Loa Loa (eye worm) hypothetical protein 0.0998 0.6158 0.6158
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0207 0.1196 0.5
Echinococcus multilocularis tar DNA binding protein 0.086 0.529 0.6443
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0018 0.0015 0.0036
Brugia malayi cytochrome P450 0.0018 0.0015 0.0015
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0041 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0018 0.0015 0.0036
Leishmania major cytochrome p450-like protein 0.0028 0.0072 0.0981
Brugia malayi TAR-binding protein 0.086 0.529 0.529
Echinococcus multilocularis p2X purinoceptor 4 0.1325 0.821 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0018 0.0015 0.0024
Loa Loa (eye worm) TAR-binding protein 0.086 0.529 0.529
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0018 0.0015 0.0036
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0133 0.0732 0.0892
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0041 0.0371
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0018 0.0015 0.0036
Loa Loa (eye worm) latrophilin receptor protein 2 0.051 0.3095 0.3095
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0018 0.0015 0.0036
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0018 0.0015 0.0024
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0998 0.6158 0.5
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0018 0.0015 0.0036
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0245 0.0299
Brugia malayi Cytochrome P450 family protein 0.0028 0.0072 0.0072
Brugia malayi RNA binding protein 0.086 0.529 0.529
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0018 0.0015 0.0036
Schistosoma mansoni tar DNA-binding protein 0.086 0.529 0.6443
Brugia malayi Isocitrate dehydrogenase 0.0133 0.0732 0.0732
Loa Loa (eye worm) cytochrome P450 family protein 0.0058 0.0264 0.0264
Loa Loa (eye worm) hypothetical protein 0.051 0.3095 0.3095
Schistosoma mansoni ap endonuclease 0.0023 0.0041 0.005
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0018 0.0015 0.0024
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0018 0.0015 0.0024
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0018 0.0015 0.0036
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0133 0.0732 0.0892
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0018 0.0015 0.0036
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0998 0.6158 1
Brugia malayi isocitrate dehydrogenase 0.0133 0.0732 0.0732
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0041 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0018 0.0015 0.0036
Echinococcus multilocularis isocitrate dehydrogenase 0.0133 0.0732 0.0892
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0133 0.0732 1
Brugia malayi Probable ClpP-like protease 0.0998 0.6158 0.6158
Echinococcus granulosus p2X purinoceptor 4 0.1325 0.821 1
Schistosoma mansoni hypothetical protein 0.0018 0.0015 0.0018
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0998 0.6158 0.7501
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0133 0.0732 0.0892
Schistosoma mansoni P2X receptor subunit 0.1325 0.821 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.1611 1 1
Schistosoma mansoni tar DNA-binding protein 0.086 0.529 0.6443
Toxoplasma gondii isocitrate dehydrogenase 0.0133 0.0732 0.1169
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0133 0.0732 0.113
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0018 0.0015 0.0024
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0072 0.0072
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0041 0.005
Loa Loa (eye worm) CYP4Cod1 0.0028 0.0072 0.0072
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0245 0.0245
Brugia malayi RNA recognition motif domain containing protein 0.086 0.529 0.529
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0018 0.0015 0.0036
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0041 0.005
Echinococcus multilocularis peptidase Clp (S14 family) 0.0654 0.4001 0.4874
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0018 0.0015 0.0024
Leishmania major cytochrome p450-like protein 0.0018 0.0015 0.0198
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0041 0.0371
Brugia malayi Cytochrome P450 family protein 0.0028 0.0072 0.0072
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1611 1 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0018 0.0015 0.0024
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0018 0.0015 0.0036
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0041 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0245 0.0299
Schistosoma mansoni hypothetical protein 0.051 0.3095 0.377
Echinococcus granulosus p2X purinoceptor 4 0.1325 0.821 1
Schistosoma mansoni tar DNA-binding protein 0.086 0.529 0.6443
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0018 0.0015 0.0024
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0998 0.6158 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0018 0.0015 0.0036
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0018 0.0015 0.0024
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0018 0.0015 0.0036
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.051 0.3095 0.377
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0018 0.0015 0.0036
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0133 0.0732 1
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0344 0.2055 0.3337
Mycobacterium leprae putative cytochrome p450 0.0018 0.0015 0.0024
Echinococcus multilocularis p2X purinoceptor 4 0.1325 0.821 1
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0018 0.0015 0.0024
Trypanosoma brucei cytochrome P450, putative 0.0028 0.0072 0.0799
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0245 0.0299
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.051 0.3095 0.377
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0018 0.0015 0.0036
Schistosoma mansoni hypothetical protein 0.051 0.3095 0.377
Schistosoma mansoni cytochrome P450 0.0018 0.0015 0.0018
Schistosoma mansoni tar DNA-binding protein 0.086 0.529 0.6443
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0998 0.6158 1
Mycobacterium leprae Conserved hypothetical protein 0.0018 0.0015 0.0024
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0998 0.6158 1
Loa Loa (eye worm) hypothetical protein 0.1611 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0041 0.005
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0998 0.6158 0.5
Schistosoma mansoni P2X receptor subunit 0.1325 0.821 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.051 0.3095 0.3095
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0041 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0654 0.4001 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.1101 0.6804 0.8288
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0654 0.4001 1
Echinococcus granulosus tar DNA binding protein 0.086 0.529 0.6443
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0133 0.0732 0.183
Echinococcus granulosus peptidase Clp S14 family 0.0654 0.4001 0.4874
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0245 0.0299
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0041 0.0562
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0018 0.0015 0.0024
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0041 0.0067
Brugia malayi Cytochrome P450 family protein 0.0058 0.0264 0.0264
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0018 0.0015 0.0036
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0998 0.6158 0.7501
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0998 0.6158 1
Toxoplasma gondii isocitrate dehydrogenase 0.0133 0.0732 0.1169
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0018 0.0015 0.0036
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0072 0.0799
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0133 0.0732 0.0892
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0133 0.0732 1
Brugia malayi N-terminal motif family protein 0.0207 0.1196 0.1196
Echinococcus multilocularis p2X purinoceptor 4 0.1325 0.821 1
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0018 0.0015 0.0024
Toxoplasma gondii hypothetical protein 0.0344 0.2055 0.3322
Brugia malayi latrophilin 2 splice variant baaae 0.1101 0.6804 0.6804
Loa Loa (eye worm) cytochrome P450 0.0018 0.0015 0.0015
Leishmania major cytochrome p450-like protein 0.0018 0.0015 0.0198
Loa Loa (eye worm) isocitrate dehydrogenase 0.0133 0.0732 0.0732
Loa Loa (eye worm) cytochrome P450 family protein 0.0028 0.0072 0.0072
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0018 0.0015 0.0024
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0998 0.6158 1
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0018 0.0015 0.0024
Toxoplasma gondii exonuclease III APE 0.0023 0.0041 0.0043
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0018 0.0015 0.0024
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0998 0.6158 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0018 0.0015 0.0024
Trypanosoma cruzi cytochrome P450, putative 0.0028 0.0072 0.0799
Echinococcus multilocularis GPCR, family 2 0.051 0.3095 0.377
Schistosoma mansoni P2X receptor subunit 0.1325 0.821 1
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0015 0.0018
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.051 0.3095 0.377
Loa Loa (eye worm) RNA binding protein 0.086 0.529 0.529
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0018 0.0015 0.0198
Echinococcus multilocularis 0.0018 0.0015 0.0018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0245 0.0299
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0344 0.2055 0.3293
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0344 0.2055 0.3293
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0018 0.0015 0.0036
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0018 0.0015 0.0036
Brugia malayi Latrophilin receptor protein 2 0.051 0.3095 0.3095
Schistosoma mansoni P2X receptor subunit 0.1325 0.821 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0998 0.6158 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0133 0.0732 0.113
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0041 0.0103
Brugia malayi Cytochrome P450 family protein 0.0018 0.0015 0.0015
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0654 0.4001 0.6498
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0041 0.0067
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.086 0.529 0.529
Schistosoma mansoni peptidase Clp (S14 family) 0.0998 0.6158 0.7501
Schistosoma mansoni hypothetical protein 0.051 0.3095 0.377
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0018 0.0015 0.0024
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0018 0.0015 0.0024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0245 0.0299
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0998 0.6158 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0344 0.2055 0.3293
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0018 0.0015 0.0024
Echinococcus granulosus p2X purinoceptor 4 0.1325 0.821 1
Schistosoma mansoni tar DNA-binding protein 0.086 0.529 0.6443

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 112.2018 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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