Detailed information for compound 19828

Basic information

Technical information
  • TDR Targets ID: 19828
  • Name: N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5 -dimethylpyrrol-2-yl)aniline
  • MW: 268.357 | Formula: C16H20N4
  • H donors: 2 H acceptors: 0 LogP: 1.74 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(C)ccc1c1ccccc1NCC1=NCCN1
  • InChi: 1S/C16H20N4/c1-12-7-8-15(20(12)2)13-5-3-4-6-14(13)19-11-16-17-9-10-18-16/h3-8,19H,9-11H2,1-2H3,(H,17,18)
  • InChiKey: XEIJZOXXUFREDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1,5-dimethyl-2-pyrrolyl)aniline
  • [2-(1,5-dimethylpyrrol-2-yl)phenyl]-(2-imidazolin-2-ylmethyl)amine
  • 4,5-dihydro-1H-imidazol-2-ylmethyl-[2-(1,5-dimethylpyrrol-2-yl)phenyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenoceptor alpha 1A Starlite/ChEMBL References

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
Loa Loa (eye worm) deoxyhypusine synthase 0.0072 0.3005 0.3381
Echinococcus multilocularis dna polymerase eta 0.0019 0.0637 0.1601
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Entamoeba histolytica recQ family helicase, putative 0.0011 0.0297 0.0989
Loa Loa (eye worm) hypothetical protein 0.0019 0.0655 0.0679
Plasmodium vivax deoxyhypusine synthase, putative 0.0072 0.3005 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0637 0.1601
Schistosoma mansoni polycystin 1-related 0.0019 0.0655 0.2009
Echinococcus multilocularis deoxyhypusine synthase 0.0072 0.3005 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0637 0.035
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0655 0.0679
Brugia malayi hypothetical protein 0.0019 0.0655 0.0679
Trypanosoma cruzi deoxyhypusine synthase, putative 0.0027 0.1015 0.3234
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Trypanosoma brucei deoxyhypusine synthase 0.0027 0.1015 0.3234
Schistosoma mansoni loxhd1 0.0019 0.0655 0.2009
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0655 0.1665
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1091 0.3492
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0637 0.1948
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0297 0.0792
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Loa Loa (eye worm) hypothetical protein 0.0019 0.0655 0.0679
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0186 0.0618
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0725 0.0759
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0637 0.035
Leishmania major deoxyhypusine synthase, putative 0.0072 0.3005 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0637 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.0655 0.2009
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.042 0.1399
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0186 0.0139
Entamoeba histolytica deoxyhypusine synthase, putative 0.0072 0.3005 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.1091 0.3212
Echinococcus granulosus dna polymerase kappa 0.0019 0.0637 0.1601
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0053 0.2182 0.7082
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.1091 0.3492
Loa Loa (eye worm) hypothetical protein 0.0019 0.0637 0.0658
Schistosoma mansoni rab6-interacting 0.0019 0.0655 0.2009
Echinococcus multilocularis RUN 0.0019 0.0655 0.1665
Brugia malayi Pre-SET motif family protein 0.0201 0.8763 1
Trichomonas vaginalis deoxyhypusine synthase, putative 0.0072 0.3005 0.2791
Schistosoma mansoni deoxyhypusine synthase 0.0072 0.3005 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.0637 0.1948
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0655 0.1665
Schistosoma mansoni rab6-interacting 0.0019 0.0655 0.2009
Echinococcus granulosus bloom syndrome protein 0.0021 0.0725 0.1912
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.038 0.1071
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0065 0.0215
Brugia malayi Doublecortin family protein 0.0019 0.0655 0.0679
Schistosoma mansoni DNA helicase recq1 0.0009 0.0186 0.0412
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0637 0.1948
Giardia lamblia DINP protein human, muc B family 0.0019 0.0637 0.1948
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0053 0.2182 0.7082
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.1091 0.3212
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0637 1
Plasmodium vivax SET domain protein, putative 0.0029 0.1091 0.3492
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0637 0.1948
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0725 0.0441
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.8763 1
Trypanosoma cruzi deoxyhypusine synthase, putative 0.0027 0.1015 0.3234
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Onchocerca volvulus 0.0029 0.1091 0.0467
Leishmania major DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Loa Loa (eye worm) hypothetical protein 0.0029 0.1091 0.1181
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0637 0.0658
Schistosoma mansoni lipoxygenase 0.0053 0.2182 0.7202
Leishmania major deoxyhypusine synthase;with=GeneDB:Linj34_V3.0350 0.0027 0.1015 0.3234
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Echinococcus granulosus RUN 0.0019 0.0655 0.1665
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.1091 0.3632
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.1091 0.3212
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0014 0.0428 0.1235
Loa Loa (eye worm) RecQ helicase 0.0021 0.0725 0.0759
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0655 0.1665
Echinococcus granulosus dna polymerase eta 0.0019 0.0637 0.1601
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0637 0.0658
Brugia malayi hypothetical protein 0.0019 0.0655 0.0679
Trypanosoma brucei deoxyhypusine synthase 0.0072 0.3005 1
Giardia lamblia Sgs1 DNA helicase, putative 0.0009 0.0186 0.0412
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0655 0.1665
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0186 0.0139
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0297 0.0792
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0655 0.2009
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0637 0.5
Trypanosoma brucei unspecified product 0.0013 0.038 0.1071
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0637 0.1601
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0186 0.0139
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0018 0.0614 0.1867
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0006 0.0065 0.0215
Trypanosoma brucei unspecified product 0.0013 0.038 0.1071
Trypanosoma brucei unspecified product 0.0019 0.0637 0.1948
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0297 0.0792
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0655 0.1665
Trichomonas vaginalis set domain proteins, putative 0.0229 1 1
Leishmania major DNA polymerase eta, putative 0.0019 0.0637 0.1948
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1091 0.3492
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Schistosoma mansoni lipoxygenase 0.0019 0.0655 0.2009
Echinococcus granulosus deoxyhypusine synthase 0.0072 0.3005 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.038 0.1071
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0655 0.1665
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0725 0.0441
Brugia malayi deoxyhypusine synthase 0.0072 0.3005 0.3381
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0637 0.1948
Loa Loa (eye worm) hypothetical protein 0.0016 0.0539 0.0546
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0637 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0637 0.1948
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0637 0.1948
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0009 0.0186 0.0412
Toxoplasma gondii deoxyhypusine synthase 0.0072 0.3005 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0186 0.0618
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0006 0.0065 0.0215
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0655 0.2009
Brugia malayi Pre-SET motif family protein 0.0029 0.1091 0.1181
Plasmodium falciparum deoxyhypusine synthase 0.0072 0.3005 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0186 0.0139
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0637 0.212
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Schistosoma mansoni DNA helicase recq5 0.0009 0.0186 0.0412
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0637 0.1948
Entamoeba histolytica deoxyhypusine synthase, putative 0.0072 0.3005 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.1091 0.3492
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0637 0.1948
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.038 0.1071
Giardia lamblia Deoxyhypusine synthase, putative 0.0072 0.3005 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0637 0.1948
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.1044 0.3044
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0725 0.1912
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0637 0.1601
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0637 0.0658
Trypanosoma cruzi deoxyhypusine synthase, putative 0.0072 0.3005 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0016 0.0532 0.1589

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = -7.3 Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells ChEMBL. 12643939
EC50 (functional) < -4 Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells ChEMBL. 12643939
EC50 (functional) < -4 Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells ChEMBL. 12643939
Log EC50 (functional) < 4 Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells ChEMBL. 12643939
Log EC50 (functional) < 4 Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells ChEMBL. 12643939
Log EC50 (functional) = 7.3 Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells ChEMBL. 12643939
Max response (functional) = 0 % Maximal response assayed via calcium mobilization to human alpha-1B adrenergic receptor compared to percent of the 40 mM phenylephrine response. ChEMBL. 12643939
Max response (functional) = 0 % Maximal response via calcium mobilization towards Human Alpha-1D adrenergic receptor as percent relative to 40 mM phenylephrine ChEMBL. 12643939
Max response (functional) = 0 % Maximal response assayed via calcium mobilization to human alpha-1B adrenergic receptor compared to percent of the 40 mM phenylephrine response. ChEMBL. 12643939
Max response (functional) = 0 % Maximal response via calcium mobilization towards Human Alpha-1D adrenergic receptor as percent relative to 40 mM phenylephrine ChEMBL. 12643939
Max response (functional) = 78 % Maximal response assayed via calcium mobilization to the human alpha-1A adrenergic receptor compared the percent of the 40 mM phenylephrine response ChEMBL. 12643939
Max response (functional) = 78 % Maximal response assayed via calcium mobilization to the human alpha-1A adrenergic receptor compared the percent of the 40 mM phenylephrine response ChEMBL. 12643939

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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