Detailed information for compound 181831

Basic information

Technical information
  • TDR Targets ID: 181831
  • Name: 6-methoxy-N,N-dimethyl-2,3,4,9-tetrahydro-1H- carbazol-3-amine
  • MW: 244.332 | Formula: C15H20N2O
  • H donors: 1 H acceptors: 0 LogP: 2.81 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c1CC(CCc1[nH]2)N(C)C
  • InChi: 1S/C15H20N2O/c1-17(2)10-4-6-14-12(8-10)13-9-11(18-3)5-7-15(13)16-14/h5,7,9-10,16H,4,6,8H2,1-3H3
  • InChiKey: KOGRUJJHBIUTRH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-dimethyl-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled Starlite/ChEMBL 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_141128 All targets in OG5_141128
Schistosoma japonicum ko:K04165 Oamb gene product from transcript, putative Get druggable targets OG5_141128 All targets in OG5_141128
Brugia malayi Serotonin/octopamine receptor family protein 7 Get druggable targets OG5_141128 All targets in OG5_141128
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_141128 All targets in OG5_141128
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor Get druggable targets OG5_141128 All targets in OG5_141128
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi AT19640p 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 390 aa 335 aa 21.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0017 0.0014 0.0014
Brugia malayi hypothetical protein 0.0026 0.0285 0.0285
Schistosoma mansoni hypothetical protein 0.0033 0.0477 0.0477
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.2542 0.2542
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.2542 0.2542
Entamoeba histolytica hypothetical protein 0.0037 0.0611 1
Schistosoma mansoni ap endonuclease 0.0019 0.0068 0.0068
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0068 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0328 0.0328
Schistosoma mansoni integrin alpha-ps 0.0053 0.107 0.107
Schistosoma mansoni hypothetical protein 0.0071 0.1586 0.1586
Brugia malayi MH2 domain containing protein 0.0124 0.3139 0.3139
Brugia malayi Integrin alpha pat-2 precursor 0.0053 0.107 0.107
Echinococcus multilocularis geminin 0.0346 0.9585 1
Schistosoma mansoni ap endonuclease 0.0019 0.0068 0.0068
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1586 0.1586
Schistosoma mansoni hypothetical protein 0.0026 0.0264 0.0264
Loa Loa (eye worm) hypothetical protein 0.036 1 1
Loa Loa (eye worm) integrin alpha pat-2 0.0117 0.294 0.294
Loa Loa (eye worm) hypothetical protein 0.0028 0.0328 0.0328
Loa Loa (eye worm) hypothetical protein 0.0033 0.0477 0.0477
Schistosoma mansoni hypothetical protein 0.0033 0.0477 0.0477
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0068 0.0071
Toxoplasma gondii exonuclease III APE 0.0019 0.0068 0.2398
Schistosoma mansoni hypothetical protein 0.0346 0.9585 0.9585
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0068 0.2398
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0477 0.0477
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0068 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.1586 0.1586
Loa Loa (eye worm) hypothetical protein 0.0104 0.2542 0.2542
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.3139 0.3139
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0285 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0285 1
Echinococcus granulosus integrin alpha ps 0.0026 0.0264 0.0275
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0611 0.0638
Schistosoma mansoni retinoic acid receptor RXR 0.0153 0.3982 0.3982
Loa Loa (eye worm) hypothetical protein 0.036 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0068 1
Echinococcus multilocularis integrin alpha ps 0.0026 0.0264 0.0275
Echinococcus granulosus integrin alpha 3 0.0026 0.0264 0.0275
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.3139 0.3139
Entamoeba histolytica hypothetical protein 0.0037 0.0611 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0477 0.0498
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0611 0.0611
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.2542 0.2542
Echinococcus granulosus geminin 0.0346 0.9585 1
Echinococcus granulosus integrin alpha ps 0.0053 0.107 0.1116
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0068 0.0071
Echinococcus multilocularis integrin alpha ps 0.0053 0.107 0.1116
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0068 0.0068
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0285 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0068 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0285 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0477 0.0477
Echinococcus multilocularis integrin alpha ps 0.0053 0.107 0.1116
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0477 0.0498
Schistosoma mansoni hypothetical protein 0.0037 0.0611 0.0611
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0153 0.3982 0.4154
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0477 0.0498
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0068 0.2398
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0285 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0285 0.0285
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0068 0.2398
Echinococcus multilocularis integrin alpha 3 0.0026 0.0264 0.0275
Echinococcus multilocularis GPCR, family 2 0.0033 0.0477 0.0498
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0285 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0068 0.2398
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0068 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0264 0.0264
Schistosoma mansoni integrin alpha 0.0053 0.107 0.107
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0477 0.0477
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0068 0.0068
Entamoeba histolytica hypothetical protein 0.0037 0.0611 1
Schistosoma mansoni hypothetical protein 0.0346 0.9585 0.9585
Schistosoma mansoni hypothetical protein 0.0033 0.0477 0.0477
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0147 0.3814 0.3979
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0068 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0477 0.0477
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0477 0.0498
Entamoeba histolytica hypothetical protein 0.0037 0.0611 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0068 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.036 1 1
Brugia malayi hypothetical protein 0.0037 0.0611 0.0611
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0285 1
Loa Loa (eye worm) hypothetical protein 0.009 0.2134 0.2134
Schistosoma mansoni integrin alpha-ps 0.0028 0.0328 0.0328
Echinococcus granulosus GPCR family 2 0.0033 0.0477 0.0498
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0611 0.0638
Brugia malayi Integrin alpha cytoplasmic region family protein 0.009 0.2134 0.2134
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0068 0.2398
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0068 0.2398
Leishmania major hypothetical protein, conserved 0.0026 0.0285 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antidepressant activity in Swiss-Webster mouse assessed as prevention of reserpine-induced ptosis at 10 mg/kg, ip ChEMBL. 403284
Ki (binding) > 1000 nM Binding affinity of the compound towards cloned human 5-hydroxytryptamine 1A receptor beta was determined using [3H]-8-OH-DPAT as radioligand ChEMBL. 8568822
Ki (binding) > 1000 nM Binding affinity of the compound towards cloned human 5-hydroxytryptamine 1A receptor beta was determined using [3H]-8-OH-DPAT as radioligand ChEMBL. 8568822

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

1 literature reference was collected for this gene.

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