Detailed information for compound 155720

Basic information

Technical information
  • TDR Targets ID: 155720
  • Name: 6-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2,3, 4,9-tetrahydro-1H-pyrido[3,4-b]indole
  • MW: 356.846 | Formula: C20H21ClN2O2
  • H donors: 2 H acceptors: 0 LogP: 4.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)CC1NCCc2c1[nH]c1c2cc(cc1)Cl
  • InChi: 1S/C20H21ClN2O2/c1-24-18-6-3-12(10-19(18)25-2)9-17-20-14(7-8-22-17)15-11-13(21)4-5-16(15)23-20/h3-6,10-11,17,22-23H,7-9H2,1-2H3
  • InChiKey: ILLZECXCYSSNDW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-1-veratryl-2,3,4,9-tetrahydro-1H-$b-carboline
  • 6-chloro-1-(3,4-dimethoxybenzyl)-2,3,4,9-tetrahydro-1H-$b-carboline

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
Schistosoma mansoni hypothetical protein 0.0073 0.227 0.227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0282 1 1
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0012 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.081 0.081
Schistosoma mansoni hypothetical protein 0.0034 0.081 0.081
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0282 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.3529 0.3529
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0012 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.081 0.081
Schistosoma mansoni tar DNA-binding protein 0.013 0.4368 0.4368
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.227 0.227
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.4368 0.4368
Schistosoma mansoni hypothetical protein 0.0034 0.081 0.081
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0282 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.081 0.081
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.013 0.4368 0.4368
Onchocerca volvulus 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.227 0.227
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0012 0 0.5
Echinococcus granulosus GPCR family 2 0.0034 0.081 0.081
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.3529 0.3529
Loa Loa (eye worm) TAR-binding protein 0.013 0.4368 0.4368
Echinococcus granulosus tar DNA binding protein 0.013 0.4368 0.4368
Schistosoma mansoni hypothetical protein 0.0034 0.081 0.081
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.3529 0.3529
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.081 0.081
Entamoeba histolytica G protein alpha subunit, putative 0.0012 0 0.5
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0012 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.013 0.4368 0.4368
Onchocerca volvulus 0.0012 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.013 0.4368 0.4368
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.081 0.081
Echinococcus multilocularis GPCR, family 2 0.0034 0.081 0.081
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.081 0.081
Brugia malayi RNA binding protein 0.013 0.4368 0.4368
Schistosoma mansoni tar DNA-binding protein 0.013 0.4368 0.4368
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.081 0.081
Schistosoma mansoni tar DNA-binding protein 0.013 0.4368 0.4368
Brugia malayi RNA recognition motif domain containing protein 0.013 0.4368 0.4368
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0012 0 0.5
Brugia malayi TAR-binding protein 0.013 0.4368 0.4368
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0282 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0282 1 1
Loa Loa (eye worm) RNA binding protein 0.013 0.4368 0.4368
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0282 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0282 1 1
Brugia malayi Latrophilin receptor protein 2 0.0034 0.081 0.081
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0282 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.3529 0.3529
Loa Loa (eye worm) hypothetical protein 0.0034 0.081 0.081

Activities

Activity type Activity value Assay description Source Reference
-Log KB (binding) = 8.36000000000002 Binding affinity analysed for 5-HT 2B receptor in rat stomach fundus ChEMBL. 8709108

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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