Detailed information for compound 886421

Basic information

Technical information
  • TDR Targets ID: 886421
  • Name: 2-amino-N-[(4-chlorophenyl)methyl]-1-(3-metho xypropyl)pyrrolo[5,4-b]quinoxaline-3-carboxam ide
  • MW: 423.895 | Formula: C22H22ClN5O2
  • H donors: 2 H acceptors: 3 LogP: 3.17 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCn1c(N)c(c2c1nc1ccccc1n2)C(=O)NCc1ccc(cc1)Cl
  • InChi: 1S/C22H22ClN5O2/c1-30-12-4-11-28-20(24)18(22(29)25-13-14-7-9-15(23)10-8-14)19-21(28)27-17-6-3-2-5-16(17)26-19/h2-3,5-10H,4,11-13,24H2,1H3,(H,25,29)
  • InChiKey: FDMNSSBDYFBMEB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-N-[(4-chlorophenyl)methyl]-1-(3-methoxypropyl)-3-pyrrolo[5,4-b]quinoxalinecarboxamide
  • 2-amino-N-(4-chlorobenzyl)-1-(3-methoxypropyl)pyrrolo[5,4-b]quinoxaline-3-carboxamide
  • STOCK3S-85433

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
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1836 0.5598
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0419 0.0595
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0037 0.0037
Echinococcus granulosus dna polymerase kappa 0.0019 0.0037 0.0053
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0419 0.0595
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.29 0.8908
Echinococcus multilocularis thymidylate synthase 0.0593 0.7047 0.7208
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0037 0.0038
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Brugia malayi Dihydrofolate reductase 0.0242 0.2759 0.3915
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0037 0.0053
Schistosoma mansoni hypothetical protein 0.0166 0.1836 0.2605
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1836 0.5598
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0834 1 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0593 0.7047 1
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0242 0.2759 0.3914
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Chlamydia trachomatis dihydrofolate reductase 0.0242 0.2759 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.005 0.0419 0.0595
Brugia malayi dihydrofolate reductase family protein 0.0242 0.2759 0.3915
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.29 0.8908
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.1945 0.5938
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0037 0.0053
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0593 0.7047 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0834 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0282 0.3251 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0037 0.0052
Schistosoma mansoni DNA polymerase eta 0.0019 0.0037 0.0053
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0037 0.0037
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0037 0.0053
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0037 0.0037
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0282 0.3251 0.3251
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1836 0.5598
Onchocerca volvulus 0.0593 0.7047 1
Echinococcus granulosus geminin 0.0166 0.1836 0.2605
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1836 0.5598
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0037 0.0038
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0037 0.0037
Echinococcus multilocularis dna polymerase eta 0.0019 0.0037 0.0038
Echinococcus multilocularis dihydrofolate reductase 0.0242 0.2759 0.2822
Loa Loa (eye worm) thymidylate synthase 0.0593 0.7047 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0037 0.0053
Schistosoma mansoni dihydrofolate reductase 0.0242 0.2759 0.3915
Leishmania major DNA polymerase eta, putative 0.0019 0.0037 0.0037
Brugia malayi hypothetical protein 0.0282 0.3251 0.4613
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0242 0.2759 0.3882
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.29 0.8908
Echinococcus granulosus dihydrofolate reductase 0.0242 0.2759 0.3915
Mycobacterium ulcerans thymidylate synthase 0.0593 0.7047 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1836 0.5598
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0037 0.0053
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0225 0.0319
Schistosoma mansoni hypothetical protein 0.0034 0.0225 0.0319
Mycobacterium tuberculosis Hypothetical protein 0.0282 0.3251 0.4613
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0253 0.29 0.4115
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.29 0.8908
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1836 0.5598
Echinococcus granulosus thymidylate synthase 0.0593 0.7047 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.29 0.8908
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0419 0.0595
Leishmania major DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Loa Loa (eye worm) dihydrofolate reductase 0.0242 0.2759 0.3915
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0037 0.0037
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0253 0.29 0.4115
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0834 1 1
Trypanosoma brucei unspecified product 0.0019 0.0037 0.0037
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0037 0.0053
Loa Loa (eye worm) hypothetical protein 0.0034 0.0225 0.0319
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0037 0.0037
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0834 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0834 1 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0816 0.9776 1
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.29 0.8908
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0037 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0037 0.0052
Echinococcus multilocularis geminin 0.0166 0.1836 0.1878
Schistosoma mansoni hypothetical protein 0.0166 0.1836 0.2605
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0019 0.0037 0.0053
Giardia lamblia DINP protein human, muc B family 0.0019 0.0037 0.5
Brugia malayi thymidylate synthase 0.0593 0.7047 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0593 0.7047 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.1836 0.5598
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.1945 0.5938
Echinococcus granulosus dna polymerase eta 0.0019 0.0037 0.0053

Activities

No activities found for this compound.

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

No literature references available for this target.

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