Detailed information for compound 1641547

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.461 | Formula: C25H22N3O2+
  • H donors: 0 H acceptors: 0 LogP: 4.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)COc1cccn2c1=Nc1c(ccc[n+]1C2)OCc1ccccc1
  • InChi: 1S/C25H22N3O2/c1-3-9-20(10-4-1)17-29-22-13-7-15-27-19-28-16-8-14-23(25(28)26-24(22)27)30-18-21-11-5-2-6-12-21/h1-16H,17-19H2/q+1
  • InChiKey: GUDHCYATCOIYOY-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0332 0.0335 0.0335
Schistosoma mansoni fkbp-rapamycin associated protein 0.0961 0.1642 0.1592
Loa Loa (eye worm) hypothetical protein 0.0332 0.0335 0.031
Trichomonas vaginalis PIKK family atypical protein kinase 0.3974 0.7899 0.7899
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0332 0.0335 0.0277
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0391 0.0457 0.0457
Trichomonas vaginalis PIKK family atypical protein kinase 0.0961 0.1642 0.1642
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0519 0.0725 0.0724
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0584 0.086 0.0837
Trichomonas vaginalis PIKK family atypical protein kinase 0.2711 0.5277 0.5276
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0961 0.1642 0.1592
Trichomonas vaginalis PIKK family atypical protein kinase 0.3719 0.7369 0.7369
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.048 0.0643 0.0609
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.4986 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0351 0.0375 0.0042
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0332 0.0335 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.2967 0.5807 0.5807
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0391 0.0457 0.0457
Entamoeba histolytica hypothetical protein 0.048 0.0643 0.0609
Trichomonas vaginalis conserved hypothetical protein 0.0629 0.0953 0.0953
Trichomonas vaginalis PIKK family atypical protein kinase 0.2707 0.5268 0.5268
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.069 0.1078 0.1056
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0351 0.0375 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0351 0.0375 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0739 0.118 0.118
Trichomonas vaginalis PIKK family atypical protein kinase 0.298 0.5835 0.5835
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0519 0.0725 0.0725
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.3978 0.7908 0.7835
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0412 0.0501 0.0467
Onchocerca volvulus 0.0332 0.0335 0.5
Loa Loa (eye worm) hypothetical protein 0.0451 0.0583 0.0559
Loa Loa (eye worm) hypothetical protein 0.107 0.1869 0.1848
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.4986 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.17 0.3176 0.3175
Trichomonas vaginalis PIKK family atypical protein kinase 0.298 0.5835 0.5835
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1749 0.3279 0.3279
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1749 0.3279 0.3262
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0391 0.0457 0.0423
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.4986 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0391 0.0457 0.0423
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0961 0.1642 0.1642
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0332 0.0335 0.031
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0961 0.1642 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.3974 0.7899 0.7899
Loa Loa (eye worm) phosphatidylinositol 3 0.4986 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.17 0.3176 0.3175
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0961 0.1642 0.1621
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1749 0.3279 0.3238
Loa Loa (eye worm) phosphatidylinositol 3 0.0332 0.0335 0.031
Leishmania major phosphatidylinositol 3-kinase, putative 0.0351 0.0375 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0332 0.0335 0.0335
Leishmania major hypothetical protein, conserved 0.0421 0.0521 0.0193
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1749 0.3279 0.3046
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1749 0.3279 0.3262
Brugia malayi FAT domain containing protein 0.0739 0.118 0.118
Trichomonas vaginalis PIKK family atypical protein kinase 0.2967 0.5807 0.5807
Trichomonas vaginalis PIKK family atypical protein kinase 0.1339 0.2427 0.2427
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0351 0.0375 0.0351
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.069 0.1078 0.1056
Entamoeba histolytica hypothetical protein 0.0332 0.0335 0.03
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0351 0.0375 0.0375
Trichomonas vaginalis PIKK family atypical protein kinase 0.3236 0.6365 0.6365
Loa Loa (eye worm) hypothetical protein 0.1008 0.1739 0.1718
Trichomonas vaginalis PIKK family atypical protein kinase 0.0629 0.0953 0.0953
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0459 0.0599 0.0599
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.17 0.3176 0.2939
Trichomonas vaginalis PIKK family atypical protein kinase 0.171 0.3198 0.3197
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0391 0.0457 0.04
Trichomonas vaginalis PIKK family atypical protein kinase 0.4986 1 1
Entamoeba histolytica protein kinase rad3, putative 0.0961 0.1642 0.1612
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0371 0.0417 0.0085
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.4986 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.171 0.3198 0.318
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0351 0.0375 0.0375
Echinococcus multilocularis Zinc finger, PHD finger 0.0351 0.0375 0.0351
Trichomonas vaginalis PIKK family atypical protein kinase 0.4986 1 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0351 0.0375 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0351 0.0375 0.0351
Trichomonas vaginalis PIKK family atypical protein kinase 0.4247 0.8466 0.8466
Trichomonas vaginalis PIKK family atypical protein kinase 0.3974 0.7899 0.7899
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0332 0.0335 0.031
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2351 0.4528 0.4339
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0351 0.0375 0.0042
Entamoeba histolytica hypothetical protein 0.0332 0.0335 0.03
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0451 0.0583 0.0559
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0519 0.0725 0.0724
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0332 0.0335 0.0335
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0961 0.1642 0.1352
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0961 0.1642 0.1642
Trichomonas vaginalis PIKK family atypical protein kinase 0.0332 0.0335 0.0335
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0351 0.0375 0.0375
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0391 0.0457 0.0457
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.4986 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0332 0.0335 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2711 0.5277 0.5276
Trichomonas vaginalis PIKK family atypical protein kinase 0.3719 0.7369 0.7369
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0629 0.0953 0.064
Toxoplasma gondii FATC domain-containing protein 0.0961 0.1642 0.1858
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.171 0.3198 0.2962
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0351 0.0375 0.0341
Trichomonas vaginalis PIKK family atypical protein kinase 0.3974 0.7899 0.7899
Trichomonas vaginalis PIKK family atypical protein kinase 0.2711 0.5277 0.5276
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0739 0.118 0.1158
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0391 0.0457 0.0457
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0961 0.1642 0.1352
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0419 0.0517 0.0188
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0519 0.0725 0.0724
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0451 0.0583 0.0583
Trichomonas vaginalis PIKK family atypical protein kinase 0.3719 0.7369 0.7369
Trichomonas vaginalis PIKK family atypical protein kinase 0.0961 0.1642 0.1642
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0351 0.0375 0.0317
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0351 0.0375 0.0042
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0584 0.086 0.0837
Loa Loa (eye worm) phosphatidylinositol 3 0.0332 0.0335 0.031
Trichomonas vaginalis PIKK family atypical protein kinase 0.17 0.3176 0.3175
Loa Loa (eye worm) hypothetical protein 0.0961 0.1642 0.1621
Leishmania major phosphatidylinositol 3-related kinase, putative 0.171 0.3198 0.2962
Echinococcus multilocularis serine protein kinase ATM 0.0961 0.1642 0.1621
Echinococcus multilocularis 0.0332 0.0335 0.031
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.4986 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0332 0.0335 0.0335
Trichomonas vaginalis PIKK family atypical protein kinase 0.2707 0.5268 0.5268
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0182 0.0025 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.3974 0.7899 0.7899
Trichomonas vaginalis PIKK family atypical protein kinase 0.2711 0.5277 0.5276
Loa Loa (eye worm) hypothetical protein 0.0629 0.0953 0.093
Loa Loa (eye worm) phosphatidylinositol 3 0.0332 0.0335 0.031
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0459 0.0599 0.0599
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2082 0.3969 0.376
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0332 0.0335 0.0277
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0972 0.1664 0.1634
Leishmania major phosphatidylinositol 3-kinase, putative 0.17 0.3176 0.2939
Schistosoma mansoni hypothetical protein 0.0739 0.118 0.1127
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0351 0.0375 0.0351
Entamoeba histolytica hypothetical protein 0.0332 0.0335 0.03
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0391 0.0457 0.0127
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0351 0.0375 0.0341
Trichomonas vaginalis PIKK family atypical protein kinase 0.4986 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.065 0.0996 0.0974
Mycobacterium leprae conserved hypothetical protein 0.0332 0.0335 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0351 0.0375 0.0375
Trichomonas vaginalis PIKK family atypical protein kinase 0.17 0.3176 0.3175
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.4986 1 1
Onchocerca volvulus 0.0332 0.0335 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2707 0.5268 0.5268
Trichomonas vaginalis PIKK family atypical protein kinase 0.298 0.5835 0.5835
Trichomonas vaginalis PIKK family atypical protein kinase 0.3719 0.7369 0.7369
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0332 0.0335 0.03
Toxoplasma gondii target of rapamycin (TOR), putative 0.3719 0.7369 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0332 0.0335 0.0335
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0351 0.0375 0.0042
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0351 0.0375 0.0317
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0332 0.0335 0.031
Trichomonas vaginalis PIKK family atypical protein kinase 0.3719 0.7369 0.7369
Echinococcus granulosus serine protein kinase ATM 0.0961 0.1642 0.1621
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1749 0.3279 0.3046
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0351 0.0375 0.0351
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0332 0.0335 0.031
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.4986 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0351 0.0375 0.0057
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0332 0.0335 0.0335
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.069 0.1078 0.1025
Entamoeba histolytica hypothetical protein 0.0961 0.1642 0.1612
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0519 0.0725 0.0403
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0519 0.0725 0.0403
Trichomonas vaginalis conserved hypothetical protein 0.107 0.1869 0.1868
Giardia lamblia GTOR 0.4986 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.3978 0.7908 0.7835
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0739 0.118 0.1158
Toxoplasma gondii non-specific serine/threonine protein kinase 0.107 0.1869 0.218
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.4986 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0972 0.1664 0.1664
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0519 0.0725 0.0691
Loa Loa (eye worm) phosphatidylinositol kinase 0.0332 0.0335 0.031
Loa Loa (eye worm) phosphatidylinositol 3 0.0332 0.0335 0.031
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0332 0.0335 0.031
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0391 0.0457 0.0127
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0451 0.0583 0.0559
Schistosoma mansoni hypothetical protein 0.0332 0.0335 0.0277
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.4986 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.4986 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3719 0.7369 0.7369
Loa Loa (eye worm) hypothetical protein 0.0739 0.118 0.1158
Trypanosoma brucei target of rapamycin kinase 3, putative 0.3978 0.7908 0.7835
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0961 0.1642 0.1621
Trichomonas vaginalis PIKK family atypical protein kinase 0.3345 0.6592 0.6592
Trichomonas vaginalis PIKK family atypical protein kinase 0.3719 0.7369 0.7369

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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