Detailed information for compound 2072985

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.581 | Formula: C28H34N2O4
  • H donors: 0 H acceptors: 0 LogP: 5.19 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OCc2ccc(cc2)CCN2CCN(CC2)c2cccc(c2)OC)cc(c1)OC
  • InChi: 1S/C28H34N2O4/c1-31-25-6-4-5-24(17-25)30-15-13-29(14-16-30)12-11-22-7-9-23(10-8-22)21-34-28-19-26(32-2)18-27(20-28)33-3/h4-10,17-20H,11-16,21H2,1-3H3
  • InChiKey: JBUVIWKBQPUMOL-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
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.2065 0.447 0.442
Echinococcus granulosus lysosomal alpha glucosidase 0.3749 0.843 0.8416
Schistosoma mansoni alpha-l-fucosidase 0.2024 0.4374 0.4374
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1087 0.2169 0.3072
Trypanosoma cruzi hypothetical protein, conserved 0.1025 0.2023 0.2744
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0449 0.0668 0.0791
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0744 0.1362 0.1362
Loa Loa (eye worm) hypothetical protein 0.0216 0.0119 0.014
Echinococcus multilocularis lysosomal alpha glucosidase 0.3749 0.843 0.8416
Trichomonas vaginalis sucrase-isomaltase, putative 0.094 0.1823 0.2583
Schistosoma mansoni alpha-glucosidase 0.3253 0.7264 0.7264
Trichomonas vaginalis PIKK family atypical protein kinase 0.0267 0.0241 0.0341
Echinococcus multilocularis Zinc finger, PHD finger 0.0449 0.0668 0.0584
Trypanosoma cruzi hypothetical protein, conserved 0.1025 0.2023 0.2744
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.2528 0.5558 0.7837
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0444 0.0657 0.0775
Loa Loa (eye worm) phosphatidylinositol 3 0.0744 0.1362 0.1602
Trichomonas vaginalis alpha-glucosidase, putative 0.1025 0.2023 0.2866
Echinococcus granulosus serine protein kinase ATM 0.0216 0.0119 0.0031
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0449 0.0668 0.2677
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0449 0.0668 0.0792
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0311 0.0343 0.1093
Trichomonas vaginalis alpha-glucosidase, putative 0.1025 0.2023 0.2866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.1048 0.1485
Trichomonas vaginalis PIKK family atypical protein kinase 0.0649 0.1138 0.1612
Giardia lamblia GTOR 0.0744 0.1362 0.3934
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0311 0.0343 0.0323
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0223 0.0137 0.0163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.1362 0.1929
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.1048 0.1485
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.4416 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.3166 0.7058 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0223 0.0137 0.0162
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2065 0.447 0.5302
Loa Loa (eye worm) hypothetical protein 0.0222 0.0133 0.0157
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0449 0.0668 0.0668
Brugia malayi Glycosyl hydrolases family 31 protein 0.0444 0.0657 0.078
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0969 0.1373
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0449 0.0668 0.0791
Trichomonas vaginalis glucosylceramidase, putative 0.0223 0.0137 0.0195
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.1549 0.3257 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0744 0.1362 0.1791
Trichomonas vaginalis PIKK family atypical protein kinase 0.0311 0.0343 0.0486
Trichomonas vaginalis PIKK family atypical protein kinase 0.0311 0.0343 0.0486
Leishmania major phosphatidylinositol 3-kinase, putative 0.0449 0.0668 0.1932
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0119 0.0169
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1427 0.2969 0.4107
Trichomonas vaginalis alpha-glucosidase, putative 0.1025 0.2023 0.2866
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.3166 0.7058 0.8373
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0216 0.0119 0.0141
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0216 0.0119 0.0031
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0449 0.0668 0.0791
Brugia malayi Glycosyl hydrolases family 31 protein 0.3749 0.843 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0969 0.1373
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0657 0.0931
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0449 0.0668 0.0786
Trypanosoma brucei glycosyl hydrolase-like protein 0.0444 0.0657 0.2626
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0311 0.0343 0.0257
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0203 0.0089 0.0089
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0444 0.0657 0.0931
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0969 0.1373
Brugia malayi Alpha-L-fucosidase family protein 0.2024 0.4374 0.5188
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0969 0.1373
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0744 0.1362 0.6064
Loa Loa (eye worm) hypothetical protein 0.2065 0.447 0.5259
Trichomonas vaginalis PIKK family atypical protein kinase 0.053 0.0857 0.1215
Echinococcus granulosus neutral alpha glucosidase AB 0.1025 0.2023 0.1951
Trichomonas vaginalis maltase-glucoamylase, putative 0.1025 0.2023 0.2866
Toxoplasma gondii non-specific serine/threonine protein kinase 0.023 0.0152 0.0328
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0449 0.0668 0.2993
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1025 0.2023 0.2866
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0449 0.0668 0.0584
Trichomonas vaginalis alpha-glucosidase, putative 0.0444 0.0657 0.0931
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0744 0.1362 0.1284
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0744 0.1362 0.6064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0657 0.0931
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.4416 1 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0203 0.0089 0.0089
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1251 0.2553 0.3029
Trichomonas vaginalis maltase-glucoamylase, putative 0.0444 0.0657 0.0931
Loa Loa (eye worm) hypothetical protein 0.0444 0.0657 0.0773
Trichomonas vaginalis alpha-glucosidase, putative 0.1025 0.2023 0.2866
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0203 0.0089 0.0089
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0449 0.0668 0.0946
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.0745 0.1056
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.1025 0.2023 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0444 0.0657 0.0931
Loa Loa (eye worm) hypothetical protein 0.1101 0.22 0.2589
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0401 0.0554 0.2122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.1048 0.1485
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1087 0.2169 0.3072
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0119 0.0169
Trichomonas vaginalis PIKK family atypical protein kinase 0.0515 0.0824 0.1168
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1087 0.2169 0.2953
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0449 0.0668 0.1932
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0311 0.0343 0.0257
Echinococcus multilocularis glycogen debranching enzyme 0.0222 0.0133 0.0045
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0952 0.1852 0.2497
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0657 0.0931
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0969 0.1373
Onchocerca volvulus 0.2715 0.5999 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0311 0.0343 0.0486
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.1025 0.2023 0.2744
Toxoplasma gondii FATC domain-containing protein 0.0216 0.0119 0.0157
Toxoplasma gondii target of rapamycin (TOR), putative 0.0577 0.0969 0.4551
Trichomonas vaginalis alpha-glucosidase, putative 0.1025 0.2023 0.2866
Leishmania major alpha glucosidase II subunit, putative 0.1025 0.2023 1
Mycobacterium ulcerans alpha-L-fucosidase 0.2786 0.6165 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0744 0.1362 0.1615
Trichomonas vaginalis PIKK family atypical protein kinase 0.0311 0.0343 0.0486
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0444 0.0657 0.0775
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0449 0.0668 0.0668
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.3166 0.7058 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.2187 0.4757 0.674
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0449 0.0668 0.0791
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0216 0.0119 0.0119
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0222 0.0133 0.0188
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0888 0.1701 0.241
Echinococcus multilocularis serine protein kinase ATM 0.0216 0.0119 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.1362 0.1929
Toxoplasma gondii Amylo-alpha-1,6-glucosidase 0.0222 0.0133 0.0228
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.2065 0.447 0.442
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.3166 0.7058 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0744 0.1362 0.6064
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0656 0.0929
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0449 0.0668 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0744 0.1362 0.1791
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.3166 0.7058 1
Trichomonas vaginalis conserved hypothetical protein 0.023 0.0152 0.0216
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0657 0.0931
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0969 0.1373
Trichomonas vaginalis glucosylceramidase, putative 0.0223 0.0137 0.0195
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0744 0.1362 0.1791
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.1048 0.1485
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0449 0.0668 0.0946
Entamoeba histolytica hypothetical protein 0.2528 0.5558 0.7837
Trichomonas vaginalis PIKK family atypical protein kinase 0.0311 0.0343 0.0486
Trichomonas vaginalis glucosylceramidase, putative 0.0223 0.0137 0.0195
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0444 0.0657 0.0775
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1087 0.2169 0.2169
Loa Loa (eye worm) phosphatidylinositol 3 0.0311 0.0343 0.0404
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.0745 0.1056
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1087 0.2169 0.2572
Trichomonas vaginalis PIKK family atypical protein kinase 0.0577 0.0969 0.1373
Leishmania major glycosyl hydrolase-like protein 0.0444 0.0657 0.1869
Trichomonas vaginalis glucosylceramidase, putative 0.0223 0.0137 0.0195
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0222 0.0133 0.0188
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.3031 0.6742 0.9544
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.3166 0.7058 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0449 0.0668 0.5
Loa Loa (eye worm) alpha-L-fucosidase 0.2024 0.4374 0.5146
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.3166 0.7058 1
Loa Loa (eye worm) phosphatidylinositol 3 0.3778 0.8499 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0449 0.0668 0.0584
Trichomonas vaginalis glucosylceramidase, putative 0.0223 0.0137 0.0195
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0216 0.0119 0.0031
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0444 0.0657 0.0931
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0311 0.0343 0.1093
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.1087 0.2169 0.2953
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0656 0.0929
Trypanosoma cruzi target of rapamycin kinase 3 0.0611 0.105 0.1341
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0363 0.0466 0.1692
Brugia malayi Glycosyl hydrolases family 31 protein 0.1025 0.2023 0.24
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0611 0.105 0.4205
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0744 0.1362 0.6064
Trichomonas vaginalis alpha-glucosidase, putative 0.0444 0.0657 0.0931
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.0736 0.1043
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0311 0.0343 0.0343
Trichomonas vaginalis PIKK family atypical protein kinase 0.0482 0.0745 0.1056
Echinococcus granulosus fucosidase alpha L 1 tissue 0.2786 0.6165 0.613
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0449 0.0668 0.2993
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0203 0.0089 0.0089
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.1362 0.1929
Schistosoma mansoni alpha glucosidase 0.1025 0.2023 0.2023
Loa Loa (eye worm) hypothetical protein 0.023 0.0152 0.0179
Schistosoma mansoni alpha-glucosidase 0.3253 0.7264 0.7264
Echinococcus granulosus glycogen debranching enzyme 0.0222 0.0133 0.0045
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0216 0.0119 0.0141
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0222 0.0133 0.0158
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0744 0.1362 0.1284
Trichomonas vaginalis glucosylceramidase, putative 0.0223 0.0137 0.0195
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0744 0.1362 0.1791
Loa Loa (eye worm) phosphatidylinositol 3 0.0952 0.1852 0.2179
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1087 0.2169 0.3072
Trypanosoma brucei glucosidase, putative 0.1025 0.2023 0.929
Trichomonas vaginalis alpha-glucosidase, putative 0.0444 0.0657 0.0931
Schistosoma mansoni fkbp-rapamycin associated protein 0.0216 0.0119 0.0119
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1025 0.2023 0.238
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1087 0.2169 0.2953
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0611 0.105 0.454
Trichomonas vaginalis PIKK family atypical protein kinase 0.0478 0.0736 0.1043
Echinococcus multilocularis lysosomal alpha glucosidase 0.3749 0.843 0.8416
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1087 0.2169 1
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.2786 0.6165 0.613
Trichomonas vaginalis alpha-glucosidase, putative 0.0444 0.0657 0.0931
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0311 0.0343 0.0323
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.3749 0.843 0.9919
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.1025 0.2023 0.2866
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.094 0.1823 0.2456
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0888 0.1701 0.241
Trichomonas vaginalis PIKK family atypical protein kinase 0.0444 0.0656 0.0929
Trichomonas vaginalis PIKK family atypical protein kinase 0.0216 0.0119 0.0169
Schistosoma mansoni hypothetical protein 0.0285 0.0282 0.0282
Trichomonas vaginalis PIKK family atypical protein kinase 0.0611 0.1048 0.1485
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0311 0.0343 0.0407
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0449 0.0668 0.0584
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0773 0.1429 0.4149
Echinococcus multilocularis neutral alpha glucosidase AB 0.1025 0.2023 0.1951
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.2187 0.4757 0.674
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0449 0.0668 0.0946
Entamoeba histolytica glycogen debranching enzyme, putative 0.0222 0.0133 0.002

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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