Detailed information for compound 1275392

Basic information

Technical information
  • TDR Targets ID: 1275392
  • Name: ST016596
  • MW: 268.354 | Formula: C17H20N2O
  • H donors: 0 H acceptors: 1 LogP: 2.19 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)c1CCCC3c1n2CCN3C(=O)C
  • InChi: 1S/C17H20N2O/c1-11-6-7-15-14(10-11)13-4-3-5-16-17(13)19(15)9-8-18(16)12(2)20/h6-7,10,16H,3-5,8-9H2,1-2H3
  • InChiKey: TVYGDDMZPBKRPM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(8-Methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethanone
  • BAS 00024127
  • ChemDiv1_021958
  • MLS000710265
  • SMR000279024
  • Oprea1_546310
  • Oprea1_644469

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0023 0.0003 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.0139
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0003 0.0003
Leishmania major 0.2362 1 1
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2362 1 1
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0878 0.3658 0.3658
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0139 0.0139
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2362 1 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0003 0.0003
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.023 0.023
Leishmania major DNA polymerase eta, putative 0.0023 0.0003 0.0003
Trypanosoma brucei unspecified product 0.0023 0.0003 0.0003
Giardia lamblia DINP protein human, muc B family 0.0023 0.0003 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0003 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.023 0.023
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0878 0.3658 0.3658
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0139 0.0139
Schistosoma mansoni tar DNA-binding protein 0.0076 0.023 0.023
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0139 0.0139
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0003 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2362 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 0.023 0.023
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0003 0.0003
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0003 0.0003
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0003 0.0003
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0003 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2362 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0003 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0003 1
Brugia malayi RNA binding protein 0.0076 0.023 0.023
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0003 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Brugia malayi TAR-binding protein 0.0076 0.023 0.023
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0878 0.3658 0.3658
Loa Loa (eye worm) RNA binding protein 0.0076 0.023 0.023
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2362 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.023 0.023
Schistosoma mansoni tar DNA-binding protein 0.0076 0.023 0.023
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0003 1
Schistosoma mansoni DNA polymerase eta 0.0023 0.0003 0.0003
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Toxoplasma gondii fructose-bisphospatase II 0.2362 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.0139
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.023 0.023
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0003 0.0003
Echinococcus granulosus tar DNA binding protein 0.0076 0.023 0.023
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0076 0.023 0.023
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0003 0.0003
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0003 0.0003
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Toxoplasma gondii fructose-bisphospatase I 0.0878 0.3658 0.3658
Leishmania major DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0003 0.0003
Loa Loa (eye worm) TAR-binding protein 0.0076 0.023 0.023
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0003 0.0003
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0003 0.0003
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0003 0.0003
Echinococcus granulosus dna polymerase kappa 0.0023 0.0003 0.0003
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2362 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0003 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2362 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0139 0.0139
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0139 0.0139
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0003 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0003 0.0003
Echinococcus multilocularis dna polymerase eta 0.0023 0.0003 0.0003
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0003 0.0003
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0878 0.3658 0.3658
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0139 0.0139

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 39.5068 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] 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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