Detailed information for compound 155518

Basic information

Technical information
  • TDR Targets ID: 155518
  • Name: 1-[(3,4-dichlorophenyl)methyl]-2,3,4,9-tetrah ydro-1H-pyrido[3,4-b]indole
  • MW: 331.239 | Formula: C18H16Cl2N2
  • H donors: 2 H acceptors: 0 LogP: 4.73 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1Cl)CC1NCCc2c1[nH]c1c2cccc1
  • InChi: 1S/C18H16Cl2N2/c19-14-6-5-11(9-15(14)20)10-17-18-13(7-8-21-17)12-3-1-2-4-16(12)22-18/h1-6,9,17,21-22H,7-8,10H2
  • InChiKey: DVJWZFAPILAIAT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,4-dichlorobenzyl)-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
Echinococcus granulosus smad 0.0027 0.022 0.0478
Brugia malayi isocitrate dehydrogenase 0.0145 0.2413 0.2413
Loa Loa (eye worm) MH2 domain-containing protein 0.0027 0.022 0.022
Schistosoma mansoni tar DNA-binding protein 0.0205 0.3518 0.5173
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0145 0.2413 1
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0018 0.0054 0.0054
Schistosoma mansoni tar DNA-binding protein 0.0205 0.3518 0.5173
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0176 0.2978 0.8442
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0176 0.2978 0.8442
Echinococcus multilocularis tar DNA binding protein 0.0205 0.3518 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0249 0.4329 0.4329
Brugia malayi hypothetical protein 0.0017 0.0039 0.0039
Echinococcus multilocularis isocitrate dehydrogenase 0.0145 0.2413 0.6811
Loa Loa (eye worm) TAR-binding protein 0.0205 0.3518 0.3518
Brugia malayi Isocitrate dehydrogenase 0.0145 0.2413 0.2413
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0176 0.2978 0.8442
Loa Loa (eye worm) hypothetical protein 0.038 0.675 0.675
Loa Loa (eye worm) Smad1 0.0027 0.022 0.022
Echinococcus granulosus TGF beta signal transducer SmadC 0.0027 0.022 0.0478
Schistosoma mansoni hypothetical protein 0.0176 0.2978 0.4367
Brugia malayi Smad1 0.0027 0.022 0.022
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0145 0.2413 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0555 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.3482 0.3482
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0018 0.0054 0.0054
Brugia malayi MH1 domain containing protein 0.0027 0.022 0.022
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0018 0.0054 0.0054
Entamoeba histolytica hypothetical protein 0.0037 0.0412 1
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0018 0.0054 0.5
Brugia malayi N-terminal motif family protein 0.0203 0.3482 0.3482
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0018 0.0054 0.5
Echinococcus granulosus tar DNA binding protein 0.0205 0.3518 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0555 1 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0018 0.0054 0.0054
Loa Loa (eye worm) transcription factor SMAD2 0.039 0.6945 0.6945
Loa Loa (eye worm) hypothetical protein 0.0026 0.021 0.021
Schistosoma mansoni smad1 5 8 and 0.0027 0.022 0.0247
Loa Loa (eye worm) hypothetical protein 0.0555 1 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0145 0.2413 1
Schistosoma mansoni hypothetical protein 0.0037 0.0412 0.0535
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0027 0.022 0.0247
Schistosoma mansoni tar DNA-binding protein 0.0205 0.3518 0.5173
Brugia malayi latrophilin 2 splice variant baaae 0.038 0.675 0.675
Brugia malayi MH2 domain containing protein 0.0027 0.022 0.022
Echinococcus multilocularis GPCR, family 2 0.0176 0.2978 0.8442
Schistosoma mansoni smad1 5 8 and 0.0027 0.022 0.0247
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0145 0.2413 0.6811
Schistosoma mansoni tar DNA-binding protein 0.0205 0.3518 0.5173
Brugia malayi hypothetical protein 0.0026 0.021 0.021
Toxoplasma gondii isocitrate dehydrogenase 0.0145 0.2413 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.2978 0.2978
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0145 0.2413 0.6811
Loa Loa (eye worm) MH1 domain-containing protein 0.0027 0.022 0.022
Brugia malayi Latrophilin receptor protein 2 0.0176 0.2978 0.2978
Brugia malayi Probable isocitrate dehydrogenase 0.0018 0.0054 0.0054
Schistosoma mansoni Smad4 0.0027 0.022 0.0247
Entamoeba histolytica hypothetical protein 0.0037 0.0412 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0145 0.2413 0.6811
Echinococcus granulosus mothers against decapentaplegic 5 0.0027 0.022 0.0478
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0176 0.2978 0.8442
Brugia malayi MH2 domain containing protein 0.039 0.6945 0.6945
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0145 0.2413 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0145 0.2413 0.2413
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0018 0.0054 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0412 1
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0018 0.0054 0.5
Brugia malayi TAR-binding protein 0.0205 0.3518 0.3518
Brugia malayi RNA binding protein 0.0205 0.3518 0.3518
Echinococcus granulosus Smad4 0.0027 0.022 0.0478
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0145 0.2413 1
Schistosoma mansoni hypothetical protein 0.0176 0.2978 0.4367
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0145 0.2413 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0027 0.022 0.0478
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0145 0.2413 0.6811
Brugia malayi Probable isocitrate dehydrogenase 0.0018 0.0054 0.0054
Echinococcus granulosus GPCR family 2 0.0176 0.2978 0.8442
Loa Loa (eye worm) RNA binding protein 0.0205 0.3518 0.3518
Schistosoma mansoni hypothetical protein 0.038 0.675 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0145 0.2413 1
Echinococcus multilocularis smad 0.0027 0.022 0.0478
Loa Loa (eye worm) MH2 domain-containing protein 0.039 0.6945 0.6945
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0205 0.3518 0.3518
Schistosoma mansoni smad 0.0027 0.022 0.0247
Echinococcus multilocularis Smad4 0.0027 0.022 0.0478
Brugia malayi MH2 domain containing protein 0.0027 0.022 0.022
Schistosoma mansoni hypothetical protein 0.0176 0.2978 0.4367
Schistosoma mansoni smad1 5 8 and 0.0027 0.022 0.0247
Brugia malayi RNA recognition motif domain containing protein 0.0205 0.3518 0.3518
Echinococcus multilocularis mothers against decapentaplegic 5 0.0027 0.022 0.0478
Loa Loa (eye worm) latrophilin receptor protein 2 0.0176 0.2978 0.2978
Brugia malayi MH1 domain containing protein 0.0027 0.022 0.022
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0412 0.0535
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0145 0.2413 1
Toxoplasma gondii isocitrate dehydrogenase 0.0145 0.2413 1
Entamoeba histolytica hypothetical protein 0.0037 0.0412 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0176 0.2978 0.4367
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0176 0.2978 0.2978
Leishmania major hypothetical protein, conserved 0.0026 0.021 0.066
Brugia malayi Pax transcription factor protein 2 0.0249 0.4329 0.4329
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0412 0.1034
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0412 0.1034
Brugia malayi hypothetical protein 0.0037 0.0412 0.0412
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0145 0.2413 0.6811
Schistosoma mansoni tar DNA-binding protein 0.0205 0.3518 0.5173
Onchocerca volvulus 0.0249 0.4329 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0145 0.2413 0.3523

Activities

Activity type Activity value Assay description Source Reference
-Log KB (binding) = 8.22 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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