Detailed information for compound 155416

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 407.346 | Formula: C23H23BrN2
  • H donors: 2 H acceptors: 0 LogP: 5.83 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2C3CCNC(C3Nc2c(c1)Br)Cc1cccc2c1cccc2
  • InChi: 1S/C23H23BrN2/c1-14-11-19-18-9-10-25-21(23(18)26-22(19)20(24)12-14)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,11-12,18,21,23,25-26H,9-10,13H2,1H3
  • InChiKey: SXUYSGJPFRBFEI-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0589 0.0497
Schistosoma mansoni hypothetical protein 0.0016 0.0344 0.0479
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0549 0.0497
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0549 0.0737
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0589 0.0497
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.157 0.1913
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0589 0.0353
Loa Loa (eye worm) hypothetical protein 0.002 0.0589 0.0568
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0589 0.2598
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0549 0.0497
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0133 0.7171 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0344 0.0143
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0549 0.0528
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2095 0.2672
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0549 0.23
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0014 0.0245 0.006
Loa Loa (eye worm) hypothetical protein 0.0104 0.5503 0.5493
Trypanosoma cruzi PAB1-binding protein , putative 0.0104 0.5503 0.7668
Schistosoma mansoni inositol monophosphatase 0.0037 0.157 0.2189
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0549 0.0312
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0521 0.05
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0344 0.0143
Trypanosoma brucei prolyl endopeptidase 0.0133 0.7171 1
Trypanosoma brucei prolyl oligopeptidase, putative 0.0053 0.251 0.3311
Entamoeba histolytica recQ family DNA helicase 0.001 0.0022 0.0143
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0245 0.0311
Echinococcus multilocularis bloom syndrome protein 0.002 0.0589 0.0497
Schistosoma mansoni DNA polymerase eta 0.0044 0.2023 0.2821
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0344 0.0143
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0521 0.332
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0549 0.0737
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0589 0.2598
Plasmodium vivax ataxin-2 like protein, putative 0.0104 0.5503 1
Trypanosoma cruzi prolyl endopeptidase 0.0133 0.7171 1
Echinococcus granulosus GPCR family 2 0.0016 0.0344 0.0143
Schistosoma mansoni hypothetical protein 0.0016 0.0344 0.0479
Toxoplasma gondii prolyl endopeptidase 0.0133 0.7171 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0022 0.0041
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0549 0.0049
Schistosoma mansoni hypothetical protein 0.0047 0.2156 0.3007
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.157 0.2189
Echinococcus granulosus dna polymerase eta 0.0044 0.2023 0.2567
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0589 0.0793
Loa Loa (eye worm) hypothetical protein 0.0049 0.231 0.2293
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0549 0.044
Brugia malayi hypothetical protein 0.0067 0.3352 0.3185
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0053 0.251 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0521 0.0283
Plasmodium falciparum ataxin-2 like protein, putative 0.0104 0.5503 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.157 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2095 0.2672
Loa Loa (eye worm) hypothetical protein 0.0014 0.0245 0.0223
Loa Loa (eye worm) hypothetical protein 0.0034 0.14 0.1381
Leishmania major hypothetical protein, conserved 0.0104 0.5503 0.7593
Schistosoma mansoni hypothetical protein 0.0034 0.14 0.1952
Echinococcus multilocularis dna polymerase eta 0.0044 0.2023 0.2567
Echinococcus granulosus bloom syndrome protein 0.002 0.0589 0.0497
Plasmodium vivax hypothetical protein, conserved 0.0014 0.0245 0.0445
Mycobacterium tuberculosis Probable peptidase 0.0053 0.251 0.3407
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0014 0.0245 0.0341
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.2023 0.2612
Schistosoma mansoni ap endonuclease 0.0019 0.0521 0.0727
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0014 0.0245 0.0341
Trypanosoma brucei unspecified product 0.0019 0.0549 0.0497
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2095 0.1897
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0589 0.0353
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0549 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0521 0.2085
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0549 0.3501
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0521 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0521 0.0525
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.157 0.1961
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0521 0.8024
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0589 0.0554
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0549 0.044
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.2023 0.2798
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0589 0.0822
Trypanosoma cruzi hypothetical protein, conserved 0.0014 0.0245 0.0311
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.1253 0.1722
Loa Loa (eye worm) hypothetical protein 0.0133 0.7171 0.7164
Schistosoma mansoni DNA helicase recq5 0.002 0.0589 0.0822
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0047 0.2156 0.2759
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0549 0.0049
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2095 0.2922
Echinococcus granulosus prolyl endopeptidase 0.0133 0.7171 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0014 0.0245 0.0223
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0521 0.0698
Entamoeba histolytica prolyl oligopeptidase family protein 0.0014 0.0245 0.156
Toxoplasma gondii LsmAD domain-containing protein 0.0104 0.5503 0.7675
Loa Loa (eye worm) RecQ helicase 0.002 0.0589 0.0568
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0549 0.0737
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0521 0.0399
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.2023 0.1823
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0344 0.0143
Entamoeba histolytica recQ family helicase, putative 0.002 0.0589 0.3753
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.0245 0.156
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0589 0.0497
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2095 0.2672
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0521 0.2085
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.231 0.2117
Brugia malayi prolyl oligopeptidase family protein 0.0133 0.7171 0.7099
Echinococcus multilocularis GPCR, family 2 0.0016 0.0344 0.0143
Toxoplasma gondii exonuclease III APE 0.0019 0.0521 0.0727
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2095 0.2922
Trypanosoma cruzi PAB1-binding protein , putative 0.0104 0.5503 0.7668
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0133 0.7171 1
Trypanosoma cruzi oligopeptidase b 0.0053 0.251 0.348
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0022 0.0031
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0521 0.0399
Entamoeba histolytica prolyl oligopeptidase family protein 0.0014 0.0245 0.156
Schistosoma mansoni ap endonuclease 0.0019 0.0521 0.0727
Loa Loa (eye worm) hypothetical protein 0.001 0.0022 0.00000000047761
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0549 0.044
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.1253 0.1747
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0521 0.0399
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0014 0.0245 0.0311
Loa Loa (eye worm) hypothetical protein 0.0044 0.2023 0.2005
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0014 0.0245 0.006
Toxoplasma gondii hypothetical protein 0.0014 0.0245 0.0341
Trypanosoma cruzi oligopeptidase b 0.0053 0.251 0.348
Plasmodium falciparum ataxin-2 like protein, putative 0.0104 0.5503 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0014 0.0245 0.156
Leishmania major DNA polymerase eta, putative 0.0031 0.1253 0.1456
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.157 0.1913
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.14 0.1184
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0589 0.0497
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0549 0.0766
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.231 0.2117
Echinococcus granulosus dna polymerase kappa 0.0019 0.0549 0.044
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0014 0.0245 0.0341
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.1346 0.1412
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0521 0.0456
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0053 0.251 0.3271
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0589 0.2598
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0053 0.251 1
Loa Loa (eye worm) hypothetical protein 0.0181 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.0344 0.0479
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0549 0.0766
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0022 0.0031
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0053 0.251 0.348
Loa Loa (eye worm) inositol-1 0.0037 0.157 0.1551
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0014 0.0245 0.156
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Onchocerca volvulus Prolyl endopeptidase homolog 0.0133 0.7171 0.7099
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.157 0.2164
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0549 0.0497
Echinococcus multilocularis prolyl endopeptidase 0.0133 0.7171 1
Leishmania major DNA polymerase kappa, putative 0.0019 0.0549 0.044
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0344 0.0101
Loa Loa (eye worm) prolyl oligopeptidase 0.0014 0.0245 0.0223
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0014 0.0245 0.0311
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0047 0.2156 0.2759
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0549 0.0737
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0053 0.251 0.3311
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.157 1
Leishmania major oligopeptidase b 0.0053 0.251 0.3271
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0014 0.0245 0.006
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0549 0.0143
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0589 1
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0053 0.251 0.3407
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.157 0.5271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2095 0.2922
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0589 0.0568
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0589 0.0655
Trypanosoma brucei PAB1-binding protein , putative 0.0104 0.5503 0.7607
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.157 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0589 0.0822
Loa Loa (eye worm) hypothetical protein 0.0014 0.0245 0.0223
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.157 0.2164
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.157 1
Leishmania major DNA polymerase eta, putative 0.0044 0.2023 0.2567
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0014 0.0245 0.0341
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0119 0.6359 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0014 0.0245 0.0341
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0549 0.0497
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.231 0.2293
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2095 0.2078
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0014 0.0245 0.0341
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.157 0.1913
Entamoeba histolytica prolyl oligopeptidase family protein 0.0014 0.0245 0.156
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0589 0.0497
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0344 0.0322
Brugia malayi hypothetical protein 0.0104 0.5503 0.539
Brugia malayi Inositol-1 0.0037 0.157 0.1358
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0521 0.0698
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0521 0.0947
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0589 0.0353
Schistosoma mansoni inositol monophosphatase 0.0037 0.157 0.2189
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0053 0.251 0.348
Loa Loa (eye worm) hypothetical protein 0.0016 0.0344 0.0322
Schistosoma mansoni DNA helicase recq1 0.002 0.0589 0.0822
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0589 0.0655
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.157 1
Schistosoma mansoni hypothetical protein 0.0016 0.0344 0.0479
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0549 0.044
Trypanosoma brucei oligopeptidase b 0.0053 0.251 0.3311
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0133 0.7171 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0344 0.0101
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2095 0.2672
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0549 0.23
Giardia lamblia DINP protein human, muc B family 0.0019 0.0549 0.8851

Activities

Activity type Activity value Assay description Source Reference
-Log KB (binding) = 8.82 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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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