Detailed information for compound 1611387

Basic information

Technical information
  • TDR Targets ID: 1611387
  • Name: 2,3-Dimethoxy-5,6,7,9,14,14a-hexahydroisoquin o[3,2-a][2]benzazepine
  • MW: 309.402 | Formula: C20H23NO2
  • H donors: 0 H acceptors: 0 LogP: 3.65 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)CCCN1C2Cc2ccccc2C1
  • InChi: 1S/C20H23NO2/c1-22-19-11-15-8-5-9-21-13-16-7-4-3-6-14(16)10-18(21)17(15)12-20(19)23-2/h3-4,6-7,11-12,18H,5,8-10,13H2,1-2H3
  • InChiKey: KGHCKEDSNXIEJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS-144438
  • AIDS144438
  • NSC666996
  • NCI60_023352

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 0.29 0.7438 0.7438
Loa Loa (eye worm) phosphatidylinositol 3 0.0261 0.0568 0.0568
Echinococcus multilocularis muscleblind protein 1 0.0174 0.034 0.034
Trypanosoma cruzi target of rapamycin kinase 3 0.3102 0.7963 0.7963
Onchocerca volvulus 0.0261 0.0568 0.5
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0113 0.0182 0.0182
Trichomonas vaginalis fk506-binding protein, putative 0.0113 0.0182 0.0182
Echinococcus granulosus serine protein kinase ATM 0.0754 0.185 0.185
Mycobacterium tuberculosis Conserved hypothetical protein 0.0185 0.037 0.6224
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.3884 1 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0017 0.0017
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0113 0.0182 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0261 0.0568 0.0568
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0282 0.0621 1
Leishmania major mitochondrial DNA polymerase beta 0.0351 0.0803 0.0803
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0387 0.0897 0.0897
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.3884 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0125 0.3378
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0261 0.0568 0.0568
Loa Loa (eye worm) hypothetical protein 0.0578 0.1393 0.1393
Toxoplasma gondii FATC domain-containing protein 0.0754 0.185 0.2488
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0113 0.0182 0.0182
Loa Loa (eye worm) hypothetical protein 0.0174 0.034 0.034
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.3102 0.7963 0.7963
Trichomonas vaginalis PIKK family atypical protein kinase 0.2322 0.5933 0.5933
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0261 0.0568 0.8921
Trichomonas vaginalis PIKK family atypical protein kinase 0.2114 0.5392 0.5392
Trichomonas vaginalis PIKK family atypical protein kinase 0.3884 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0323 0.073 0.073
Loa Loa (eye worm) phosphatidylinositol 3 0.0261 0.0568 0.0568
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0754 0.185 0.185
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0323 0.073 0.073
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1384 0.3492 0.3492
Brugia malayi FAT domain containing protein 0.0578 0.1393 0.1393
Leishmania major phosphatidylinositol 3-kinase, putative 0.1332 0.3355 0.3355
Schistosoma mansoni immunophilin 0.0113 0.0182 0.0182
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.0072 0.0072
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.3884 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0323 0.073 0.073
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0062 0.005 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0072 0.0072
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0117 0.0191 0.0191
Leishmania major phosphatidylinositol 4-kinase, putative 0.0261 0.0568 0.0568
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1625 0.4118 0.4118
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.1332 0.3355 0.3355
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0282 0.0621 0.0621
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0113 0.0182 0.0182
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0323 0.073 0.073
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.3884 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0125 0.5
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0282 0.0621 1
Brugia malayi hypothetical protein 0.0102 0.0155 0.0155
Leishmania major hypothetical protein, unknown function 0.0261 0.0568 0.0568
Toxoplasma gondii hypothetical protein 0.0057 0.0036 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.1332 0.3355 0.3355
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0754 0.185 0.185
Mycobacterium leprae conserved hypothetical protein 0.0261 0.0568 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0261 0.0568 1
Loa Loa (eye worm) phosphatidylinositol 3 0.3884 1 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0125 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0261 0.0568 0.0568
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0528 0.1264 0.1264
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0091 0.0125 0.0125
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.0072 0.0097
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.018 0.0357 0.0357
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0261 0.0568 0.8921
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0459 0.1084 0.1084
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0261 0.0568 0.0568
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0091 0.0125 0.0125
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0282 0.0621 0.0621
Schistosoma mansoni hypothetical protein 0.0197 0.0401 0.0401
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0754 0.185 0.185
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0049 0.0017 0.0017
Trichomonas vaginalis PIKK family atypical protein kinase 0.2117 0.5401 0.5401
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0528 0.1264 0.1264
Toxoplasma gondii target of rapamycin (TOR), putative 0.29 0.7438 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0282 0.0621 0.0836
Trichomonas vaginalis PIKK family atypical protein kinase 0.3098 0.7954 0.7954
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.064 0.1553 0.1553
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0261 0.0568 0.8921
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.3884 1 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0282 0.0621 0.0621
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1343 0.3384 0.3384
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0303 0.0677 0.0504
Trichomonas vaginalis PIKK family atypical protein kinase 0.3306 0.8495 0.8495
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.0321 0.0321
Loa Loa (eye worm) phosphatidylinositol 3 0.0261 0.0568 0.0568
Echinococcus multilocularis Zinc finger, PHD finger 0.0282 0.0621 0.0621
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0282 0.0621 0.0836
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0282 0.0621 0.0621
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0459 0.1084 0.1084
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0261 0.0568 0.0568
Schistosoma mansoni peptidase Clp (S14 family) 0.0091 0.0125 0.0125
Entamoeba histolytica hypothetical protein 0.0754 0.185 0.185
Loa Loa (eye worm) hypothetical protein 0.0091 0.0125 0.0125
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0323 0.073 0.073
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.0072 0.0072
Trichomonas vaginalis PIKK family atypical protein kinase 0.1044 0.2605 0.2605
Loa Loa (eye worm) hypothetical protein 0.0072 0.0076 0.0076
Trichomonas vaginalis PIKK family atypical protein kinase 0.2316 0.5917 0.5917
Echinococcus multilocularis muscleblind protein 0.0174 0.034 0.034
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0091 0.0125 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0113 0.0182 0.0182
Trichomonas vaginalis conserved hypothetical protein 0.0493 0.1171 0.1171
Loa Loa (eye worm) hypothetical protein 0.0783 0.1926 0.1926
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0578 0.1393 0.1393
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0261 0.0568 0.0568
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0125 0.0168
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0395 0.0918 0.0918
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.3884 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0117 0.0191 0.0191
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0754 0.185 0.185
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0261 0.0568 0.0568
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1384 0.3492 0.3492
Trichomonas vaginalis PIKK family atypical protein kinase 0.0754 0.185 0.185
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0125 0.0168
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0261 0.0568 0.0568
Schistosoma mansoni hypothetical protein 0.0578 0.1393 0.1393
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0071 0.0072 0.0546
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0113 0.0182 0.0182
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0113 0.0182 0.1151
Loa Loa (eye worm) hypothetical protein 0.0102 0.0155 0.0155
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0198 0.0405 0.0405
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0351 0.0803 0.0803
Plasmodium vivax hypothetical protein 0.0261 0.0568 0.8921
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0109 0.0172 0.0172
Trichomonas vaginalis conserved hypothetical protein 0.0839 0.2073 0.2073
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0117 0.0191 0.0191
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1384 0.3492 0.3492
Trichomonas vaginalis PIKK family atypical protein kinase 0.1332 0.3355 0.3355
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0113 0.0182 0.0182
Schistosoma mansoni fkbp-rapamycin associated protein 0.0754 0.185 0.185
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0323 0.073 0.073
Echinococcus granulosus muscleblind protein 0.0174 0.034 0.034
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.2316 0.5917 0.5917
Trichomonas vaginalis PIKK family atypical protein kinase 0.2114 0.5392 0.5392
Giardia lamblia Hypothetical protein 0.0261 0.0568 0.0393
Entamoeba histolytica hypothetical protein 0.0418 0.0976 0.0976
Loa Loa (eye worm) hypothetical protein 0.0493 0.1171 0.1171
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.0219 0.0219
Trichomonas vaginalis PIKK family atypical protein kinase 0.2322 0.5933 0.5933
Loa Loa (eye worm) phosphatidylinositol 3 0.0598 0.1445 0.1445
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0282 0.0621 0.0621
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0578 0.1393 0.1393
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0072 0.1947
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0459 0.1084 0.1084
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0261 0.0568 0.0568
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0351 0.0803 0.0803
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0459 0.1084 0.1084
Echinococcus multilocularis fk506 binding protein 0.0113 0.0182 0.0182
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0113 0.0182 0.0182
Entamoeba histolytica hypothetical protein 0.0261 0.0568 0.0568
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0117 0.0191 0.0191
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0754 0.185 0.185
Trichomonas vaginalis PIKK family atypical protein kinase 0.2117 0.5401 0.5401
Trichomonas vaginalis PIKK family atypical protein kinase 0.0493 0.1171 0.1171
Schistosoma mansoni hypothetical protein 0.0261 0.0568 0.0568
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0113 0.0182 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.29 0.7438 0.7438
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.006 0.0045 0.0045
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.3884 1 1
Entamoeba histolytica hypothetical protein 0.0261 0.0568 0.0568
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.064 0.1553 0.1553
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.2606 0.6672 0.6672
Trichomonas vaginalis PIKK family atypical protein kinase 0.29 0.7438 0.7438
Echinococcus multilocularis geminin 0.0197 0.0401 0.0401
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0839 0.2073 0.2787
Brugia malayi Probable ClpP-like protease 0.0091 0.0125 0.0125
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0049 0.0017 0.0017
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0261 0.0568 0.0568
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.064 0.1553 0.1553
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0261 0.0568 0.8921
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0459 0.1084 0.1084
Leishmania major phosphatidylinositol kinase related protein, putative 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0765 0.1879 0.1879
Brugia malayi Muscleblind-like protein 0.0174 0.034 0.034
Trichomonas vaginalis PIKK family atypical protein kinase 0.3884 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0459 0.1084 0.1084
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0261 0.0568 0.0568
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0113 0.0182 0.0182
Schistosoma mansoni immunophilin 0.0113 0.0182 0.0182
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0459 0.1084 0.1084
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0261 0.0568 0.0568
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0113 0.0182 0.0182
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.0219 0.0219
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.3884 1 1
Loa Loa (eye worm) hypothetical protein 0.0839 0.2073 0.2073
Trichomonas vaginalis PIKK family atypical protein kinase 0.29 0.7438 0.7438
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0113 0.0182 0.0182
Onchocerca volvulus 0.0261 0.0568 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.29 0.7438 0.7438
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0282 0.0621 0.0621
Leishmania major phosphatidylinositol 3-kinase, putative 0.0282 0.0621 0.0621
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.0072 0.0072
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0261 0.0568 0.0568
Leishmania major phosphatidylinositol kinase, putative 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.29 0.7438 0.7438
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0113 0.0182 0.4923
Giardia lamblia Phosphatidylinositol 4-kinase 0.0261 0.0568 0.0393
Trypanosoma cruzi hypothetical protein, conserved 0.0095 0.0135 0.0135
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.0321 0.0321
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0091 0.0125 0.1555
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0166 0.0321 0.0321
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0395 0.0918 0.0918
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0765 0.1879 0.1879
Trichomonas vaginalis conserved hypothetical protein 0.0578 0.1393 0.1393
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0261 0.0568 0.0763
Echinococcus multilocularis peptidase Clp (S14 family) 0.006 0.0043 0.0043
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0113 0.0182 0.0182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0754 0.185 0.185
Trichomonas vaginalis PIKK family atypical protein kinase 0.1343 0.3384 0.3384
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.2114 0.5392 0.5392
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0049 0.0017 0.0017
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0261 0.0568 0.0763
Echinococcus granulosus geminin 0.0197 0.0401 0.0401
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.3098 0.7954 0.7954
Trichomonas vaginalis PIKK family atypical protein kinase 0.2117 0.5401 0.5401
Echinococcus granulosus peptidase Clp S14 family 0.006 0.0043 0.0043
Entamoeba histolytica protein kinase rad3, putative 0.0754 0.185 0.185
Loa Loa (eye worm) hypothetical protein 0.0387 0.0897 0.0897
Mycobacterium ulcerans hypothetical protein 0.0185 0.037 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0354 0.0809 0.0639
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0113 0.0182 0.0182
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0754 0.185 0.185
Trichomonas vaginalis PIKK family atypical protein kinase 0.29 0.7438 0.7438
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0493 0.1171 0.1171
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0282 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0261 0.0568 0.0568
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0282 0.0621 0.0621
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0754 0.185 0.185
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0282 0.0621 0.0621
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.3884 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0323 0.073 0.073
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0261 0.0568 0.8921
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1343 0.3384 0.3384
Loa Loa (eye worm) hypothetical protein 0.0102 0.0155 0.0155
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0754 0.185 0.185
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0261 0.0568 0.0763
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0125 0.3378
Trichomonas vaginalis PIKK family atypical protein kinase 0.2117 0.5401 0.5401
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0323 0.073 0.073
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0097 0.0142 0.0142
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0282 0.0621 0.0621
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1829 0.4651 0.4651
Trichomonas vaginalis PIKK family atypical protein kinase 0.3098 0.7954 0.7954
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0113 0.0182 0.0182
Leishmania major peptidylprolyl isomerase-like protein 0.0113 0.0182 0.0182
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0387 0.0897 0.0897
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0351 0.0803 0.0803
Loa Loa (eye worm) phosphatidylinositol 3 0.1343 0.3384 0.3384
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0113 0.0182 0.0182
Giardia lamblia GTOR 0.3884 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0151 0.0151
Trichomonas vaginalis PIKK family atypical protein kinase 0.3884 1 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0113 0.0182 0.1151
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0282 0.0621 0.0621
Echinococcus multilocularis 0.0261 0.0568 0.0568
Plasmodium vivax hypothetical protein, conserved 0.0261 0.0568 0.8921
Entamoeba histolytica hypothetical protein 0.0261 0.0568 0.0568
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0282 0.0621 0.0621
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0113 0.0182 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.252 0.645 0.645
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0072 0.1947
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1332 0.3355 0.3355
Schistosoma mansoni immunophilin 0.0097 0.0142 0.0142
Trichomonas vaginalis PIKK family atypical protein kinase 0.1332 0.3355 0.3355
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0282 0.0621 0.0621
Trichomonas vaginalis PIKK family atypical protein kinase 0.3098 0.7954 0.7954
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0282 0.0621 0.0621
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0113 0.0182 0.0182
Leishmania major fk506-binding protein 1-like protein 0.0113 0.0182 0.0182
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1384 0.3492 0.3492
Leishmania major hypothetical protein, conserved 0.0356 0.0815 0.0815
Loa Loa (eye worm) hypothetical protein 0.0097 0.0142 0.0142
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1384 0.3492 0.3492
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0387 0.0897 0.0897
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0072 0.0072
Schistosoma mansoni eyes absent homolog 0.0102 0.0155 0.0155
Trichomonas vaginalis immunophilin, putative 0.0113 0.0182 0.0182
Mycobacterium ulcerans aldehyde dehydrogenase 0.0071 0.0072 0.1947
Loa Loa (eye worm) phosphatidylinositol kinase 0.0261 0.0568 0.0568
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.3884 1 1
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0261 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.2322 0.5933 0.5933
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1384 0.3492 0.3492
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0346 0.0788 0.0788
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.3884 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0323 0.073 0.073
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0097 0.0142 0.0142
Schistosoma mansoni hypothetical protein 0.0197 0.0401 0.0401
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0261 0.0568 0.0568
Loa Loa (eye worm) phosphatidylinositol 3 0.0062 0.005 0.005
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0282 0.0621 0.0621
Loa Loa (eye worm) FKBP5 protein 0.0113 0.0182 0.0182
Trypanosoma brucei target of rapamycin kinase 3, putative 0.3102 0.7963 0.7963
Loa Loa (eye worm) hypothetical protein 0.0754 0.185 0.185
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0261 0.0568 0.0568
Echinococcus multilocularis serine protein kinase ATM 0.0754 0.185 0.185
Trichomonas vaginalis PIKK family atypical protein kinase 0.3098 0.7954 0.7954
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0261 0.0568 0.0568
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0109 0.0172 0.0172
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0261 0.0568 0.0568
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0282 0.0621 0.0621
Loa Loa (eye worm) hypothetical protein 0.0174 0.034 0.034
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0418 0.0976 0.0976

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.347 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.032 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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