Detailed information for compound 1019260

Basic information

Technical information
  • TDR Targets ID: 1019260
  • Name: 9-hydroxy-6-(2-morpholin-4-ylethyl)-4-phenylp yrrolo[3,4-c]carbazole-1,3-dione
  • MW: 441.479 | Formula: C26H23N3O4
  • H donors: 2 H acceptors: 3 LogP: 3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)c1c(n2CCN2CCOCC2)cc(c2c1c(=O)[nH]c2=O)c1ccccc1
  • InChi: 1S/C26H23N3O4/c30-17-6-7-20-19(14-17)22-21(29(20)9-8-28-10-12-33-13-11-28)15-18(16-4-2-1-3-5-16)23-24(22)26(32)27-25(23)31/h1-7,14-15,30H,8-13H2,(H,27,31,32)
  • InChiKey: BCPILSQMLBGEMM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-hydroxy-6-(2-morpholinoethyl)-4-phenyl-pyrrolo[3,4-c]carbazole-1,3-dione
  • 9-hydroxy-6-(2-morpholinoethyl)-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
  • 9-hydroxy-6-(2-morpholinoethyl)-4-phenyl-pyrrolo[3,4-c]carbazole-1,3-quinone
  • 9-hydroxy-6-(2-morpholin-4-ylethyl)-4-phenyl-pyrrolo[3,4-c]carbazole-1,3-dione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens WEE1 G2 checkpoint kinase Starlite/ChEMBL References
Homo sapiens checkpoint kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania mexicana protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania infantum protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania braziliensis protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Leishmania infantum serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania mexicana serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase Get druggable targets OG5_130454 All targets in OG5_130454
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania donovani Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma cruzi Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania braziliensis serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_130454 All targets in OG5_130454
Trypanosoma congolense Wee1-like protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Trypanosoma brucei wee1-like protein kinase Get druggable targets OG5_129875 All targets in OG5_129875
Schistosoma japonicum Serine/threonine-protein kinase Chk1, putative Get druggable targets OG5_130454 All targets in OG5_130454
Trypanosoma brucei gambiense serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative Get druggable targets OG5_129875 All targets in OG5_129875
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 glutaminase, putative 0.0286 1 1
Schistosoma mansoni hypothetical protein 0.007 0.201 0.201
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.9088 0.9072
Schistosoma mansoni hypothetical protein 0.0032 0.0617 0.0617
Echinococcus granulosus GPCR family 2 0.0032 0.0617 0.1046
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1814 0.1814
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.321 0.321
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.113 0.1916
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0617 0.0617
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0167 0.0839
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1565 0.1422
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.201 0.201
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0069 0.1984 1
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.9088 0.9072
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0617 0.1046
Onchocerca volvulus Glucosylceramidase homolog 0.0171 0.5762 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0167 0.0167
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1814 0.1814
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0617 0.1046
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0167 0.0839
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0167 0.0839
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.113 0.1916
Echinococcus granulosus dna polymerase eta 0.002 0.0167 0.0282
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0167 0.0839
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1814 0.1814
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1814 0.1814
Echinococcus multilocularis GPCR, family 2 0.0032 0.0617 0.1046
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0617 0.0617
Entamoeba histolytica hypothetical protein 0.0112 0.3558 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0102 0.321 0.321
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.113 0.1916
Schistosoma mansoni hypothetical protein 0.0032 0.0617 0.0617
Trypanosoma brucei wee1-like protein kinase 0.0069 0.1984 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.1814 0.3075
Schistosoma mansoni glutaminase 0.0286 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.9088 0.9072
Echinococcus granulosus geminin 0.0175 0.5898 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1814 0.1814
Loa Loa (eye worm) hypothetical protein 0.0032 0.0617 0.0617
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.113 0.113
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.6104 0.6038
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0203 0.692 0.692
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.1565 0.1565
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0069 0.1984 1
Loa Loa (eye worm) hypothetical protein 0.007 0.201 0.201
Echinococcus multilocularis dna polymerase eta 0.002 0.0167 0.0282
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0069 0.1984 1
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.5762 0.5691
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.5762 0.5691
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0261 0.9088 0.9088
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.1421 0.1421
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1814 0.1814
Brugia malayi hypothetical protein 0.0112 0.3558 0.3558
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.1565 0.1565
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0167 0.0167
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.9088 0.9072
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0167 0.0839
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.113 0.113
Echinococcus multilocularis geminin 0.0175 0.5898 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0167 0.0282
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0112 0.3558 0.6032
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.5762 0.5691
Schistosoma mansoni hypothetical protein 0.0032 0.0617 0.0617
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1565 0.2654
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1814 0.1814
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.1565 0.7889
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1814 0.1814
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0167 0.0839
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0167 0.0167
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0167 0.0839
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0167 0.1064
Schistosoma mansoni hypothetical protein 0.0175 0.5898 0.5898
Echinococcus multilocularis dna polymerase kappa 0.002 0.0167 0.0282
Leishmania major DNA polymerase kappa, putative 0.002 0.0167 0.0839
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0112 0.3558 0.6032
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0167 0.0839
Entamoeba histolytica hypothetical protein 0.0112 0.3558 1
Schistosoma mansoni hypothetical protein 0.0175 0.5898 0.5898
Entamoeba histolytica hypothetical protein 0.0112 0.3558 1
Echinococcus granulosus dna polymerase kappa 0.002 0.0167 0.0282
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Loa Loa (eye worm) glutaminase 0.0286 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0167 0.0839
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0069 0.1984 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0167 0.0839
Leishmania major DNA polymerase eta, putative 0.002 0.0167 0.0839
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0617 0.1046
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.9088 0.9072
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.1565 0.2654
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1814 0.3075
Trypanosoma cruzi Wee1-like protein kinase, putative 0.0069 0.1984 1
Brugia malayi Protein kinase domain containing protein 0.0203 0.692 0.692
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.113 0.1916
Loa Loa (eye worm) hypothetical protein 0.002 0.0167 0.0167
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0261 0.9088 0.9088
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.5762 0.5691
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.5762 0.5691
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.5762 0.5691
Schistosoma mansoni transcription factor LCR-F1 0.0112 0.3558 0.3558
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0617 0.0617
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Schistosoma mansoni hypothetical protein 0.0032 0.0617 0.0617
Trichomonas vaginalis glucosylceramidase, putative 0.0171 0.5762 0.5691
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0167 0.0282
Giardia lamblia DINP protein human, muc B family 0.002 0.0167 0.5
Trypanosoma brucei unspecified product 0.002 0.0167 0.0839
Loa Loa (eye worm) RNA binding protein 0.0065 0.1814 0.1814
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.113 0.113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.113 0.113
Brugia malayi RNA binding protein 0.0065 0.1814 0.1814
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.113 0.113
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.321 0.321
Schistosoma mansoni DNA polymerase eta 0.002 0.0167 0.0167
Trichomonas vaginalis glucosylceramidase, putative 0.0261 0.9088 0.9072
Schistosoma mansoni hypothetical protein 0.0112 0.3558 0.3558
Entamoeba histolytica hypothetical protein 0.0112 0.3558 1
Loa Loa (eye worm) glutaminase 2 0.0286 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.6104 0.6038
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0167 0.1064
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.1565 0.1422
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0167 0.0167
Mycobacterium ulcerans glutaminase 0.0286 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.1565 1
Brugia malayi TAR-binding protein 0.0065 0.1814 0.1814
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0617 0.1046
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0167 0.0839
Schistosoma mansoni serine/threonine protein kinase 0.0203 0.692 0.692
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.321 0.321

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.14 uM Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation ChEMBL. 17869387
IC50 (binding) = 0.28 uM Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination ChEMBL. 17869387

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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