Detailed information for compound 1208601

Basic information

Technical information
  • TDR Targets ID: 1208601
  • Name: N,N-dimethyl-5,6-dihydrobenzo[c]acridine-7-ca rboxamide
  • MW: 302.37 | Formula: C20H18N2O
  • H donors: 0 H acceptors: 2 LogP: 3.61 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1c2CCc3c(c2nc2c1cccc2)cccc3)C
  • InChi: 1S/C20H18N2O/c1-22(2)20(23)18-15-9-5-6-10-17(15)21-19-14-8-4-3-7-13(14)11-12-16(18)19/h3-10H,11-12H2,1-2H3
  • InChiKey: RTHHCOVQKHVRBX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_828140
  • ZINC04951175
  • Oprea1_550988
  • MLS000545632
  • SMR000163644

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit 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
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni survival motor neuron protein 0.0052 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0128 0.1056 0.295
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0589 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0116 0.088 0.088
Echinococcus multilocularis protein patched 0.0128 0.1056 0.1056
Echinococcus multilocularis survival motor neuron protein 1 0.0253 0.2777 0.2777
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0146 0.1302 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0589 0.5
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0312 0.3579 1
Echinococcus granulosus sterol regulatory element binding protein 0.0128 0.1056 0.1056
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0116 0.088 0.088
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.0589 1
Brugia malayi latrophilin 2 splice variant baaae 0.0111 0.0824 0.2302
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0116 0.088 0.088
Echinococcus granulosus survival motor neuron protein 1 0.0253 0.2777 0.2777
Brugia malayi Calcitonin receptor-like protein seb-1 0.0163 0.1534 0.4285
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0116 0.088 0.088
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0094 0.0589 0.1646
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.0589 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0116 0.088 0.088
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.105 0.2935
Brugia malayi Melibiase family protein 0.0077 0.035 0.0978
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0312 0.3579 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.1056 0.7412
Toxoplasma gondii melibiase subfamily protein 0.0116 0.088 1
Schistosoma mansoni hypothetical protein 0.0182 0.1788 0.1788
Loa Loa (eye worm) hypothetical protein 0.0077 0.035 0.0978
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0077 0.035 0.035
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0116 0.088 0.088
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0312 0.3579 0.5
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0312 0.3579 0.3579
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.0142 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.0142 0.0142
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0001 0.0003
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.0589 0.0589
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0312 0.3579 1
Echinococcus granulosus geminin 0.0182 0.1788 0.1788
Loa Loa (eye worm) hypothetical protein 0.0163 0.1534 0.4285
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.0142 0.0142
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.105 0.2935
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.0142 0.5
Schistosoma mansoni hypothetical protein 0.0052 0.0001 0.0001
Echinococcus granulosus Protein patched homolog 1 0.0128 0.1056 0.1056
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0116 0.088 0.088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0163 0.1534 0.4285
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0312 0.3579 0.3579
Brugia malayi CHE-14 protein 0.0128 0.1056 0.295
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0077 0.035 0.035
Schistosoma mansoni microtubule-associated protein tau 0.0779 1 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.0589 0.5
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0146 0.1302 1
Echinococcus multilocularis protein dispatched 1 0.0128 0.1056 0.1056
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.0589 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0163 0.1534 0.4285
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0146 0.1302 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0824 0.2302
Onchocerca volvulus 0.0052 0.0001 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.0589 0.0589
Schistosoma mansoni hypothetical protein 0.0182 0.1788 0.1788
Echinococcus multilocularis Niemann Pick C1 protein 0.0128 0.1056 0.1056
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0146 0.1302 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0128 0.1056 0.1056
Loa Loa (eye worm) hypothetical protein 0.0253 0.2777 0.7758
Schistosoma mansoni patched 1 0.0128 0.1056 0.1056
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0312 0.3579 0.5
Brugia malayi Probable ClpP-like protease 0.0094 0.0589 0.1646
Echinococcus granulosus Niemann Pick C1 protein 0.0128 0.1056 0.1056
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0128 0.1056 0.1056
Brugia malayi hypothetical protein 0.0253 0.2777 0.7758
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0312 0.3579 0.5
Echinococcus multilocularis geminin 0.0182 0.1788 0.1788
Brugia malayi MH2 domain containing protein 0.0128 0.105 0.2935
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0128 0.1056 0.295
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.0589 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0779 1 1
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0312 0.3579 0.3579
Loa Loa (eye worm) hypothetical protein 0.0312 0.3579 1
Schistosoma mansoni hypothetical protein 0.0111 0.0824 0.0824

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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