Detailed information for compound 1563308

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 589.081 | Formula: C32H33ClN4O5
  • H donors: 2 H acceptors: 4 LogP: 3.46 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CNC(=O)Cc1ccc(c(c1)CN(C(=O)[C@H]1CNCC(=O)N1c1ccc(cc1)COC(=O)c1ccccc1)C1CC1)Cl
  • InChi: 1S/C32H33ClN4O5/c1-34-29(38)16-22-9-14-27(33)24(15-22)19-36(25-12-13-25)31(40)28-17-35-18-30(39)37(28)26-10-7-21(8-11-26)20-42-32(41)23-5-3-2-4-6-23/h2-11,14-15,25,28,35H,12-13,16-20H2,1H3,(H,34,38)/t28-/m1/s1
  • InChiKey: PLWDWVSFSKWXST-MUUNZHRXSA-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 phosphatidylinositol kinase, putative 0.0179 0.1566 0.3536
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0581 0.029
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0172 0.147 0.5009
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.01 0.0493 0.1322
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0581 0.1713
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.01 0.0493 0.062
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.01 0.0493 0.2018
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0172 0.147 0.1311
Echinococcus multilocularis 0.0172 0.147 0.1028
Loa Loa (eye worm) phosphatidylinositol 3 0.0179 0.1566 0.197
Loa Loa (eye worm) phosphatidylinositol 3 0.0079 0.0196 0.0246
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0243 0.2443 1
Loa Loa (eye worm) phosphatidylinositol 3 0.01 0.0493 0.062
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.01 0.0493 0.062
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0179 0.1566 0.6097
Trypanosoma cruzi target of rapamycin kinase 3 0.01 0.0493 0.2018
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0323 0.3527 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0179 0.1566 0.6097
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.01 0.0493 0.2018
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.0581 0.0118
Onchocerca volvulus 0.0647 0.7947 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0251 0.2543 1
Brugia malayi 6-phosphofructokinase 0.0107 0.0581 0.0731
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0172 0.147 0.6016
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0179 0.1566 0.144
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0179 0.1566 0.3536
Loa Loa (eye worm) phosphatidylinositol 3 0.01 0.0493 0.062
Loa Loa (eye worm) hypothetical protein 0.01 0.0493 0.062
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0179 0.1566 0.144
Mycobacterium leprae PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE I TAGA (TAG I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.016 0.1307 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.01 0.0493 0.062
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0179 0.1566 0.641
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0172 0.147 0.9104
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.0581 0.1081
Leishmania major phosphatidylinositol 4-kinase, putative 0.0172 0.147 0.5009
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0581 0.0731
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.01 0.0493 0.2018
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0647 0.7947 0.784
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.01 0.0493 0.1322
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0581 0.2378
Loa Loa (eye worm) hypothetical protein 0.01 0.0493 0.062
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0243 0.2443 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0079 0.0196 0.0802
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0172 0.147 0.185
Loa Loa (eye worm) phosphofructokinase 0.0107 0.0581 0.0731
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0179 0.1566 0.3536
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.01 0.0493 0.2018
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0179 0.1566 0.3536
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.01 0.0493 0.1609
Toxoplasma gondii non-specific serine/threonine protein kinase 0.01 0.0493 0.1609
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.0581 0.0451
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.01 0.0493 0.2018
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0179 0.1566 0.3536
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0581 0.1713
Entamoeba histolytica hypothetical protein 0.01 0.0493 0.1322
Loa Loa (eye worm) phosphatidylinositol kinase 0.0647 0.7947 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.0581 0.5
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.01 0.0493 0.1322
Mycobacterium ulcerans DNA-3-methyladenine glycosylase I TagA 0.0323 0.3527 1
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.0581 0.1081
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0243 0.2443 0.3074
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.01 0.0493 0.2018
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0179 0.1566 0.144
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0179 0.1566 0.197
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0581 0.029
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.0581 0.0093
Onchocerca volvulus 0.0647 0.7947 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0165 0.137 0.52
Loa Loa (eye worm) phosphatidylinositol 3 0.01 0.0493 0.062
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.01 0.0493 0.2018
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0179 0.1566 0.197
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0172 0.147 0.185
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0581 0.1713
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0179 0.1566 0.6001
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0581 0.0731
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0179 0.1566 0.197
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0179 0.1566 0.6097
Loa Loa (eye worm) phosphatidylinositol 3 0.0647 0.7947 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0179 0.1566 0.3536
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0647 0.7947 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0243 0.2443 0.6427
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0581 0.029
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0179 0.1566 0.197
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0179 0.1566 0.3536
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0581 0.0731
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0179 0.1566 0.1129
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.01 0.0493 0.2018
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0179 0.1566 0.1129
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0647 0.7947 1
Loa Loa (eye worm) hypothetical protein 0.0647 0.7947 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0647 0.7947 1
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0323 0.3527 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0647 0.7947 1
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0581 0.0731
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.01 0.0493 0.1322
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.01 0.0493 0.062
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0581 0.029
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0243 0.2443 0.6427
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0179 0.1566 0.3536
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.01 0.0493 0.062
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.01 0.0493 0.062
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0172 0.147 0.6016
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0179 0.1566 0.6097
Entamoeba histolytica protein kinase rad3, putative 0.01 0.0493 0.1322
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0581 0.0451
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0243 0.2443 0.2051
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0243 0.2443 0.3074
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0647 0.7947 0.784
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0243 0.2443 1
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.01 0.0493 0.2018
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0179 0.1566 0.3536
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0243 0.2443 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0179 0.1566 0.6097
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0243 0.2443 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0179 0.1566 0.197
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0179 0.1566 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0243 0.2443 0.2616
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0179 0.1566 0.641
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0243 0.2443 0.3074
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.01 0.0493 0.062
Leishmania major phosphatidylinositol 3-kinase, putative 0.0179 0.1566 0.5502
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0179 0.1566 0.197
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0647 0.7947 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0179 0.1566 0.5502
Schistosoma mansoni fkbp-rapamycin associated protein 0.01 0.0493 0.062
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0647 0.7947 1
Entamoeba histolytica hypothetical protein 0.01 0.0493 0.1322
Entamoeba histolytica hypothetical protein 0.01 0.0493 0.1322
Echinococcus multilocularis Zinc finger, PHD finger 0.0179 0.1566 0.1129
Entamoeba histolytica hypothetical protein 0.0179 0.1566 0.6097
Loa Loa (eye worm) hypothetical protein 0.0179 0.1566 0.197
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0179 0.1566 1
Schistosoma mansoni hypothetical protein 0.01 0.0493 0.062
Entamoeba histolytica hypothetical protein 0.01 0.0493 0.1322
Toxoplasma gondii FATC domain-containing protein 0.01 0.0493 0.1609
Giardia lamblia Phosphatidylinositol 4-kinase 0.0172 0.147 0.9104
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0172 0.147 0.9104
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0179 0.1566 0.641
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.01 0.0493 0.062
Brugia malayi phosphofructokinase 0.0107 0.0581 0.0731
Mycobacterium tuberculosis Probable DNA-3-methyladenine glycosylase I TagA (tag I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.016 0.1307 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.01 0.0493 0.1609
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0179 0.1566 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.01 0.0493 0.1609
Loa Loa (eye worm) phosphatidylinositol 3 0.0172 0.147 0.185
Brugia malayi 6-phosphofructokinase 0.0107 0.0581 0.0731
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0179 0.1566 0.6097

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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