Detailed information for compound 1641553

Basic information

Technical information
  • TDR Targets ID: 1641553
  • Name: 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol in-1-yl)methyl]-9,10-dimethoxy-3-phenyl-4,6,7 ,11b-tetrahydro-1H-pyrido[2,1-a]isoquinoline
  • MW: 526.666 | Formula: C33H38N2O4
  • H donors: 1 H acceptors: 0 LogP: 4.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2C(NCCc2cc1OC)CC1=C(CN2C(C1)c1cc(OC)c(cc1CC2)OC)c1ccccc1
  • InChi: 1S/C33H38N2O4/c1-36-30-16-22-10-12-34-28(25(22)18-32(30)38-3)14-24-15-29-26-19-33(39-4)31(37-2)17-23(26)11-13-35(29)20-27(24)21-8-6-5-7-9-21/h5-9,16-19,28-29,34H,10-15,20H2,1-4H3
  • InChiKey: SKPRLNUWCGPXAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NSC134759
  • NCI60_000777
  • 2-((6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-9,10-dimethoxy-3-phenyl-1,6,7,11b-tetrahydro-4H-pyrido[2,1-a]isoquinoline
  • AIDS-126969
  • AIDS126969

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 PIKK family atypical protein kinase 0.2509 0.5256 0.5256
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0308 0.0304 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.276 0.5821 0.5821
Trichomonas vaginalis PIKK family atypical protein kinase 0.3445 0.7362 0.7362
Toxoplasma gondii target of rapamycin (TOR), putative 0.3445 0.7362 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0308 0.0304 0.0301
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0328 0.0348 0.0046
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0328 0.0348 0.0285
Trichomonas vaginalis PIKK family atypical protein kinase 0.3445 0.7362 0.7362
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0308 0.0304 0.0277
Echinococcus granulosus serine protein kinase ATM 0.0892 0.1617 0.1594
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1627 0.3272 0.3062
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0328 0.0348 0.0322
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.4617 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0308 0.0304 0.0277
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0328 0.0348 0.0063
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0308 0.0304 0.0301
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0674 0.1128 0.1069
Entamoeba histolytica hypothetical protein 0.0892 0.1617 0.1581
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.05 0.0736 0.0445
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.05 0.0736 0.0445
Trichomonas vaginalis conserved hypothetical protein 0.0993 0.1845 0.1845
Giardia lamblia GTOR 0.4617 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.3685 0.7902 0.7836
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0685 0.1152 0.1127
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0993 0.1845 0.2183
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.4617 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0903 0.1641 0.1641
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.05 0.0736 0.0696
Loa Loa (eye worm) phosphatidylinositol kinase 0.0308 0.0304 0.0277
Loa Loa (eye worm) phosphatidylinositol 3 0.0308 0.0304 0.0277
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0368 0.0439 0.014
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0308 0.0304 0.0277
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.043 0.0579 0.0553
Schistosoma mansoni hypothetical protein 0.0308 0.0304 0.024
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.4617 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.4617 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3445 0.7362 0.7362
Trypanosoma brucei target of rapamycin kinase 3, putative 0.3685 0.7902 0.7836
Loa Loa (eye worm) hypothetical protein 0.0685 0.1152 0.1127
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0892 0.1617 0.1594
Trichomonas vaginalis PIKK family atypical protein kinase 0.3445 0.7362 0.7362
Trichomonas vaginalis PIKK family atypical protein kinase 0.3097 0.658 0.658
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0892 0.1617 0.1354
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0398 0.0505 0.0208
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.05 0.0736 0.0736
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.043 0.0579 0.0576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0892 0.1617 0.1617
Trichomonas vaginalis PIKK family atypical protein kinase 0.3445 0.7362 0.7362
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0328 0.0348 0.0285
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0328 0.0348 0.0046
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0567 0.0886 0.0861
Loa Loa (eye worm) phosphatidylinositol 3 0.0308 0.0304 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.1577 0.3158 0.3158
Loa Loa (eye worm) hypothetical protein 0.0892 0.1617 0.1594
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1587 0.3182 0.2969
Echinococcus multilocularis serine protein kinase ATM 0.0892 0.1617 0.1594
Echinococcus multilocularis 0.0308 0.0304 0.0277
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.4617 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0308 0.0304 0.0301
Trichomonas vaginalis PIKK family atypical protein kinase 0.2509 0.5256 0.5256
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0185 0.0027 0.0025
Trichomonas vaginalis PIKK family atypical protein kinase 0.2513 0.5264 0.5264
Trichomonas vaginalis PIKK family atypical protein kinase 0.3681 0.7894 0.7894
Loa Loa (eye worm) hypothetical protein 0.0584 0.0924 0.0899
Loa Loa (eye worm) phosphatidylinositol 3 0.0308 0.0304 0.0277
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0308 0.0304 0.024
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0438 0.0596 0.0596
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1929 0.3951 0.3762
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0903 0.1641 0.1606
Leishmania major phosphatidylinositol 3-kinase, putative 0.1577 0.3158 0.2944
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0328 0.0348 0.0322
Schistosoma mansoni hypothetical protein 0.0685 0.1152 0.1093
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0368 0.0439 0.014
Entamoeba histolytica hypothetical protein 0.0308 0.0304 0.0262
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0328 0.0348 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.4617 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0634 0.1037 0.1012
Mycobacterium leprae conserved hypothetical protein 0.0308 0.0304 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0328 0.0348 0.0348
Trichomonas vaginalis PIKK family atypical protein kinase 0.1577 0.3158 0.3158
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.4617 1 1
Onchocerca volvulus 0.0308 0.0304 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2749 0.5796 0.5796
Trichomonas vaginalis PIKK family atypical protein kinase 0.124 0.2401 0.2401
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0328 0.0348 0.0322
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0674 0.1128 0.1103
Entamoeba histolytica hypothetical protein 0.0308 0.0304 0.0262
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0328 0.0348 0.0348
Trichomonas vaginalis PIKK family atypical protein kinase 0.0584 0.0924 0.0924
Trichomonas vaginalis PIKK family atypical protein kinase 0.2996 0.6353 0.6353
Loa Loa (eye worm) hypothetical protein 0.0932 0.1708 0.1686
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0438 0.0596 0.0596
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1577 0.3158 0.2944
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0368 0.0439 0.0376
Trichomonas vaginalis PIKK family atypical protein kinase 0.1587 0.3182 0.3182
Trichomonas vaginalis PIKK family atypical protein kinase 0.4617 1 1
Entamoeba histolytica protein kinase rad3, putative 0.0892 0.1617 0.1581
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0348 0.0395 0.0094
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.4617 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.1587 0.3182 0.3164
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0328 0.0348 0.0346
Echinococcus multilocularis Zinc finger, PHD finger 0.0328 0.0348 0.0322
Trichomonas vaginalis PIKK family atypical protein kinase 0.4617 1 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0328 0.0348 0.0322
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0328 0.0348 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3932 0.8459 0.8459
Trichomonas vaginalis PIKK family atypical protein kinase 0.3681 0.7894 0.7894
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0308 0.0304 0.0277
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2176 0.4508 0.4336
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0328 0.0348 0.0046
Entamoeba histolytica hypothetical protein 0.0308 0.0304 0.0262
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.043 0.0579 0.0553
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.05 0.0736 0.0736
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0892 0.1617 0.1354
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0308 0.0304 0.0304
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0892 0.1617 0.1615
Trichomonas vaginalis PIKK family atypical protein kinase 0.0308 0.0304 0.0304
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0328 0.0348 0.0348
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.4617 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0368 0.0439 0.0437
Mycobacterium tuberculosis Conserved hypothetical protein 0.0308 0.0304 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3445 0.7362 0.7362
Trichomonas vaginalis PIKK family atypical protein kinase 0.2513 0.5264 0.5264
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0584 0.0924 0.064
Toxoplasma gondii FATC domain-containing protein 0.0892 0.1617 0.1861
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1587 0.3182 0.2969
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0368 0.0439 0.0439
Trichomonas vaginalis PIKK family atypical protein kinase 0.2513 0.5264 0.5264
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0328 0.0348 0.0307
Trichomonas vaginalis PIKK family atypical protein kinase 0.3681 0.7894 0.7894
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0685 0.1152 0.1127
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0308 0.0304 0.0304
Schistosoma mansoni fkbp-rapamycin associated protein 0.0892 0.1617 0.1562
Loa Loa (eye worm) hypothetical protein 0.0308 0.0304 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.3681 0.7894 0.7894
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0308 0.0304 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.0892 0.1617 0.1617
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0368 0.0439 0.0439
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.05 0.0736 0.0736
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0567 0.0886 0.0861
Trichomonas vaginalis PIKK family atypical protein kinase 0.2513 0.5264 0.5264
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0892 0.1617 0.1562
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.046 0.0645 0.0605
Trichomonas vaginalis PIKK family atypical protein kinase 0.3445 0.7362 0.7362
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.4617 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0328 0.0348 0.0046
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0308 0.0304 0.024
Trichomonas vaginalis PIKK family atypical protein kinase 0.2749 0.5796 0.5796
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0368 0.0439 0.0439
Entamoeba histolytica hypothetical protein 0.046 0.0645 0.0605
Trichomonas vaginalis conserved hypothetical protein 0.0584 0.0924 0.0924
Trichomonas vaginalis PIKK family atypical protein kinase 0.2509 0.5256 0.5256
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0674 0.1128 0.1103
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0328 0.0348 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0328 0.0348 0.0063
Trichomonas vaginalis PIKK family atypical protein kinase 0.276 0.5821 0.5821
Trichomonas vaginalis conserved hypothetical protein 0.0685 0.1152 0.1152
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.05 0.0736 0.0733
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.3685 0.7902 0.7836
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.039 0.0488 0.0447
Onchocerca volvulus 0.0308 0.0304 0.5
Loa Loa (eye worm) hypothetical protein 0.043 0.0579 0.0553
Loa Loa (eye worm) hypothetical protein 0.0993 0.1845 0.1822
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.4617 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1577 0.3158 0.3158
Trichomonas vaginalis PIKK family atypical protein kinase 0.276 0.5821 0.5821
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1627 0.3272 0.3271
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1627 0.3272 0.3254
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0368 0.0439 0.0399
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.4617 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0368 0.0439 0.0399
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0892 0.1617 0.1615
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0308 0.0304 0.0277
Trichomonas vaginalis PIKK family atypical protein kinase 0.3681 0.7894 0.7894
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0892 0.1617 0.1354
Loa Loa (eye worm) phosphatidylinositol 3 0.4617 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1577 0.3158 0.3158
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0892 0.1617 0.1594
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1627 0.3272 0.3228
Loa Loa (eye worm) phosphatidylinositol 3 0.0308 0.0304 0.0277
Leishmania major phosphatidylinositol 3-kinase, putative 0.0328 0.0348 0.0046
Trichomonas vaginalis PIKK family atypical protein kinase 0.0308 0.0304 0.0304
Leishmania major hypothetical protein, conserved 0.04 0.051 0.0213
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1627 0.3272 0.3062
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1627 0.3272 0.3254
Brugia malayi FAT domain containing protein 0.0685 0.1152 0.1149

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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