Detailed information for compound 1623152

Basic information

Technical information
  • TDR Targets ID: 1623152
  • Name: 4-(1,3-benzothiazol-2-yl)-1-(2-ethylphenyl)pi peridine-2,3,5,6-tetrone
  • MW: 378.401 | Formula: C20H14N2O4S
  • H donors: 0 H acceptors: 5 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1N1C(=O)C(=O)C(C(=O)C1=O)c1nc2c(s1)cccc2
  • InChi: 1S/C20H14N2O4S/c1-2-11-7-3-5-9-13(11)22-19(25)16(23)15(17(24)20(22)26)18-21-12-8-4-6-10-14(12)27-18/h3-10,15H,2H2,1H3
  • InChiKey: DLUJLCBEMVKWMB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(1,3-benzothiazol-2-yl)-1-(2-ethylphenyl)piperidine-2,3,5,6-diquinone
  • 4-(1,3-Benzothiazol-2-yl)-1-(2-ethylphenyl)-2,3,5,6-piperidinetetrone
  • AIDS-135162
  • AIDS135162
  • NSC634508
  • NCI60_011491

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
Giardia lamblia GTOR 0.1512 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0098 0.0236 0.0124
Loa Loa (eye worm) phosphatidylinositol 3 0.1512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.1536 0.1508
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0098 0.0236 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.3063 0.3039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.3063 0.3039
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0098 0.0236 0.017
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0098 0.0236 0.0203
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0098 0.0236 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0982 0.6338 0.6326
Loa Loa (eye worm) hypothetical protein 0.0308 0.1689 0.1689
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0098 0.0236 0.017
Trichomonas vaginalis conserved hypothetical protein 0.0188 0.0863 0.0832
Trichomonas vaginalis PIKK family atypical protein kinase 0.0406 0.2363 0.2337
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0098 0.0236 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0895 0.5737 0.5723
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.7864 0.7857
Trichomonas vaginalis PIKK family atypical protein kinase 0.0817 0.5198 0.5182
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0221 0.1089 0.1029
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0098 0.0236 0.0203
Schistosoma mansoni hypothetical protein 0.0098 0.0236 0.0124
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0507 0.3063 0.3016
Echinococcus granulosus serine protein kinase ATM 0.0286 0.1536 0.148
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0098 0.0236 0.017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0817 0.5198 0.5182
Trichomonas vaginalis PIKK family atypical protein kinase 0.1125 0.7325 0.7316
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0098 0.0236 0.017
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1512 1 1
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0098 0.0236 0.5
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0098 0.0236 0.017
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0286 0.1536 0.1332
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0098 0.0236 0.017
Schistosoma mansoni fkbp-rapamycin associated protein 0.0286 0.1536 0.144
Loa Loa (eye worm) phosphatidylinositol 3 0.0098 0.0236 0.0236
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0073 0.0067 0.0067
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0098 0.0236 0.017
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0098 0.0236 0.017
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0715 0.4498 0.4366
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.7864 0.7857
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0098 0.0236 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.1291 0.8474 0.8469
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0098 0.0236 0.0124
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0098 0.0236 0.0203
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1512 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0098 0.0236 0.017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.3063 0.3039
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0098 0.0236 0.5
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0098 0.0236 0.0236
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1204 0.7873 0.7822
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0098 0.0236 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0904 0.5799 0.5785
Schistosoma mansoni hypothetical protein 0.0221 0.1089 0.0987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0188 0.0863 0.0832
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0098 0.0236 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0815 0.519 0.5174
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0098 0.0236 0.017
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0098 0.0236 0.0203
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0098 0.0236 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0895 0.5737 0.5723
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0098 0.0236 0.017
Trichomonas vaginalis PIKK family atypical protein kinase 0.1125 0.7325 0.7316
Loa Loa (eye worm) hypothetical protein 0.0098 0.0236 0.0236
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1512 1 1
Entamoeba histolytica hypothetical protein 0.0286 0.1536 0.1332
Mycobacterium leprae conserved hypothetical protein 0.0098 0.0236 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0817 0.5198 0.5182
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0098 0.0236 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0286 0.1536 0.144
Loa Loa (eye worm) phosphatidylinositol kinase 0.0098 0.0236 0.0236
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.7864 0.7857
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0286 0.1536 0.148
Loa Loa (eye worm) hypothetical protein 0.0221 0.1089 0.1089
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0507 0.3063 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0098 0.0236 0.017
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0507 0.3063 0.2895
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0098 0.0236 0.017
Leishmania major phosphatidylinositol 3-kinase, putative 0.0507 0.3063 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0286 0.1536 0.148
Trichomonas vaginalis PIKK family atypical protein kinase 0.1512 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0507 0.3063 0.2895
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0098 0.0236 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.7864 0.7857
Loa Loa (eye worm) hypothetical protein 0.0286 0.1536 0.1536
Plasmodium vivax hypothetical protein 0.0098 0.0236 0.5
Toxoplasma gondii FATC domain-containing protein 0.0286 0.1536 0.1835
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0098 0.0236 0.0124
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1512 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0507 0.3063 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0904 0.5799 0.5785
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0507 0.3063 0.3016
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0507 0.3063 0.2895
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0319 0.1762 0.2153
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1512 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0098 0.0236 0.0236
Loa Loa (eye worm) phosphatidylinositol 3 0.0098 0.0236 0.0236
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0098 0.0236 0.017
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1512 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1204 0.7873 0.7822
Trichomonas vaginalis conserved hypothetical protein 0.0319 0.1762 0.1734
Loa Loa (eye worm) phosphatidylinositol 3 0.0098 0.0236 0.0236
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0188 0.0863 0.0642
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0286 0.1536 0.1332
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0098 0.0236 0.0203
Plasmodium vivax hypothetical protein, conserved 0.0098 0.0236 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1512 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0098 0.0236 0.017
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0286 0.1536 0.148
Toxoplasma gondii target of rapamycin (TOR), putative 0.1125 0.7325 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.3063 0.3039
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0098 0.0236 0.0124
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0098 0.0236 0.017
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0098 0.0236 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.1125 0.7325 0.7316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0904 0.5799 0.5785
Trichomonas vaginalis PIKK family atypical protein kinase 0.1125 0.7325 0.7316
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0098 0.0236 0.017
Trichomonas vaginalis PIKK family atypical protein kinase 0.0815 0.519 0.5174
Trichomonas vaginalis PIKK family atypical protein kinase 0.1125 0.7325 0.7316
Trichomonas vaginalis PIKK family atypical protein kinase 0.1014 0.6564 0.6552
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0286 0.1536 0.1332
Trypanosoma cruzi target of rapamycin kinase 3 0.1204 0.7873 0.7822
Trichomonas vaginalis conserved hypothetical protein 0.0221 0.1089 0.1059
Trichomonas vaginalis PIKK family atypical protein kinase 0.1125 0.7325 0.7316
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1512 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1512 1 1
Onchocerca volvulus 0.0098 0.0236 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0236 0.0203
Loa Loa (eye worm) hypothetical protein 0.0098 0.0236 0.0236
Onchocerca volvulus 0.0098 0.0236 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.1536 0.1508
Loa Loa (eye worm) hypothetical protein 0.0319 0.1762 0.1762
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1512 1 1
Brugia malayi FAT domain containing protein 0.0221 0.1089 0.1029
Echinococcus multilocularis Zinc finger, PHD finger 0.0098 0.0236 0.017
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.7864 0.7857
Trichomonas vaginalis PIKK family atypical protein kinase 0.0817 0.5198 0.5182
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1512 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0815 0.519 0.5174
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0098 0.0236 0.017
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0286 0.1536 0.148
Entamoeba histolytica protein kinase rad3, putative 0.0286 0.1536 0.1332
Loa Loa (eye worm) phosphatidylinositol 3 0.0507 0.3063 0.3063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0507 0.3063 0.3039
Echinococcus multilocularis 0.0098 0.0236 0.017
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0098 0.0236 0.017
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0098 0.0236 0.0203
Trichomonas vaginalis PIKK family atypical protein kinase 0.1125 0.7325 0.7316
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0286 0.1536 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0098 0.0236 0.0203
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0098 0.0236 0.0203
Mycobacterium tuberculosis Conserved hypothetical protein 0.0098 0.0236 0.5
Echinococcus multilocularis serine protein kinase ATM 0.0286 0.1536 0.148
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0507 0.3063 0.3016
Trichomonas vaginalis PIKK family atypical protein kinase 0.1512 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0098 0.0236 0.017
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0098 0.0236 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.0863 0.0863
Trichomonas vaginalis PIKK family atypical protein kinase 0.1512 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0098 0.0236 0.0203
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0098 0.0236 0.017
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0098 0.0236 0.0124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0286 0.1536 0.1508
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0507 0.3063 0.2983
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0221 0.1089 0.1029
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0098 0.0236 0.0124
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0628 0.3898 0.375
Loa Loa (eye worm) phosphatidylinositol 3 0.0098 0.0236 0.0236

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.395 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.198 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) -4.179 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) -4.036 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 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 UO-31 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 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 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 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.