Detailed information for compound 1611386

Basic information

Technical information
  • TDR Targets ID: 1611386
  • Name: 9-(2,6-Dichlorophenyl)-3,7-diazabicyclo[3.3.1 ]nonane-2,4,6,8-tetrone
  • MW: 327.12 | Formula: C13H8Cl2N2O4
  • H donors: 2 H acceptors: 4 LogP: 1.3 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NC(=O)C2C(C1C(=O)NC2=O)c1c(Cl)cccc1Cl
  • InChi: 1S/C13H8Cl2N2O4/c14-4-2-1-3-5(15)6(4)7-8-10(18)16-12(20)9(7)13(21)17-11(8)19/h1-3,7-9H,(H,16,18,20)(H,17,19,21)
  • InChiKey: UPXVKOCBDZBEGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-(2,6-dichlorophenyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-diquinone
  • AIDS-135749
  • AIDS135749
  • NSC636141
  • NCI60_012061

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 DNA dependent protein kinase catalytic subunit 0.07 0.0901 0.0885
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0437 0.0469 0.0038
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0437 0.0469 0.043
Trichomonas vaginalis PIKK family atypical protein kinase 0.4662 0.7394 0.7394
Echinococcus granulosus serine:threonine protein kinase SMG1 0.1203 0.1725 0.1711
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0549 0.0654 0.0638
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0626 0.078 0.078
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0513 0.0595 0.0169
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.1203 0.1725 0.135
Loa Loa (eye worm) phosphatidylinositol 3 0.0415 0.0433 0.0417
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0788 0.1046 0.064
Trichomonas vaginalis PIKK family atypical protein kinase 0.3397 0.5322 0.5322
Trichomonas vaginalis PIKK family atypical protein kinase 0.4982 0.7919 0.7919
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0192 0.0069 0.0051
Trichomonas vaginalis PIKK family atypical protein kinase 0.3392 0.5313 0.5313
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0415 0.0433 0.0417
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.6252 1 1
Echinococcus multilocularis 0.0415 0.0433 0.0417
Toxoplasma gondii FATC domain-containing protein 0.1203 0.1725 0.1856
Leishmania major phosphatidylinositol 3-related kinase, putative 0.214 0.326 0.2955
Loa Loa (eye worm) hypothetical protein 0.1203 0.1725 0.1711
Trichomonas vaginalis PIKK family atypical protein kinase 0.2128 0.3241 0.3241
Loa Loa (eye worm) phosphatidylinositol 3 0.0415 0.0433 0.0417
Trichomonas vaginalis PIKK family atypical protein kinase 0.6252 1 1
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0437 0.0469 0.0372
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0481 0.0542 0.0114
Entamoeba histolytica hypothetical protein 0.0415 0.0433 0.0336
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0437 0.0469 0.0453
Schistosoma mansoni hypothetical protein 0.0925 0.127 0.1233
Leishmania major phosphatidylinositol 3-kinase, putative 0.2128 0.3241 0.2935
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.1215 0.1745 0.1661
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.2609 0.403 0.3759
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0558 0.0668 0.0668
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0415 0.0433 0.0393
Onchocerca volvulus 0.0415 0.0433 0.5
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.6252 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2128 0.3241 0.3241
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0437 0.0469 0.0469
Mycobacterium leprae conserved hypothetical protein 0.0415 0.0433 0.5
Loa Loa (eye worm) hypothetical protein 0.0788 0.1046 0.103
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0415 0.0433 0.0417
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0437 0.0469 0.0052
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.6252 1 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0437 0.0469 0.0453
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2184 0.3333 0.3031
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0415 0.0433 0.0417
Echinococcus granulosus serine protein kinase ATM 0.1203 0.1725 0.1711
Trichomonas vaginalis PIKK family atypical protein kinase 0.4662 0.7394 0.7394
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0437 0.0469 0.0038
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0437 0.0469 0.043
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0415 0.0433 0.0417
Toxoplasma gondii target of rapamycin (TOR), putative 0.4662 0.7394 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3737 0.5878 0.5878
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0415 0.0433 0.0336
Trichomonas vaginalis PIKK family atypical protein kinase 0.4662 0.7394 0.7394
Trichomonas vaginalis PIKK family atypical protein kinase 0.3392 0.5313 0.5313
Trypanosoma cruzi target of rapamycin kinase 3 0.4988 0.7928 0.7834
Giardia lamblia GTOR 0.6252 1 1
Trichomonas vaginalis conserved hypothetical protein 0.1339 0.1949 0.1949
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0626 0.078 0.0362
Entamoeba histolytica hypothetical protein 0.1203 0.1725 0.1641
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0626 0.078 0.0362
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0415 0.0433 0.0417
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0818 0.1095 0.1058
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.6252 1 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.6252 1 1
Schistosoma mansoni hypothetical protein 0.0415 0.0433 0.0393
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0549 0.0654 0.0638
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0481 0.0542 0.0114
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0415 0.0433 0.0417
Loa Loa (eye worm) phosphatidylinositol 3 0.0415 0.0433 0.0417
Loa Loa (eye worm) phosphatidylinositol kinase 0.0415 0.0433 0.0417
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0626 0.078 0.0686
Trichomonas vaginalis PIKK family atypical protein kinase 0.1215 0.1745 0.1745
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.6252 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.1339 0.1949 0.2178
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0925 0.127 0.1255
Trichomonas vaginalis PIKK family atypical protein kinase 0.4662 0.7394 0.7394
Trichomonas vaginalis PIKK family atypical protein kinase 0.4194 0.6627 0.6627
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.1725 0.1725
Loa Loa (eye worm) hypothetical protein 0.0925 0.127 0.1255
Trypanosoma brucei target of rapamycin kinase 3, putative 0.4988 0.7928 0.7834
Trichomonas vaginalis PIKK family atypical protein kinase 0.4662 0.7394 0.7394
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0437 0.0469 0.0038
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.6252 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.4662 0.7394 0.7394
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0582 0.0707 0.0613
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.1203 0.1725 0.1711
Trichomonas vaginalis PIKK family atypical protein kinase 0.3397 0.5322 0.5322
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.07 0.0901 0.0885
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0626 0.078 0.078
Trichomonas vaginalis PIKK family atypical protein kinase 0.1203 0.1725 0.1725
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0481 0.0542 0.0542
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0415 0.0433 0.0393
Trichomonas vaginalis PIKK family atypical protein kinase 0.4982 0.7919 0.7919
Loa Loa (eye worm) hypothetical protein 0.0415 0.0433 0.0417
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.1203 0.1725 0.1691
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0415 0.0433 0.0433
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.4988 0.7928 0.7834
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0626 0.078 0.0764
Trichomonas vaginalis conserved hypothetical protein 0.0925 0.127 0.127
Trichomonas vaginalis PIKK family atypical protein kinase 0.3737 0.5878 0.5878
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0437 0.0469 0.0052
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0818 0.1095 0.1079
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0437 0.0469 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.3392 0.5313 0.5313
Trichomonas vaginalis PIKK family atypical protein kinase 0.0788 0.1046 0.1046
Entamoeba histolytica hypothetical protein 0.0582 0.0707 0.0613
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0481 0.0542 0.0542
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0415 0.0433 0.0393
Trichomonas vaginalis PIKK family atypical protein kinase 0.3718 0.5847 0.5847
Echinococcus multilocularis serine protein kinase ATM 0.1203 0.1725 0.1711
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0481 0.0542 0.0446
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.6252 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0481 0.0542 0.0446
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2184 0.3333 0.3321
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2184 0.3333 0.3321
Trichomonas vaginalis PIKK family atypical protein kinase 0.2128 0.3241 0.3241
Trichomonas vaginalis PIKK family atypical protein kinase 0.3737 0.5878 0.5878
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.6252 1 1
Loa Loa (eye worm) hypothetical protein 0.1339 0.1949 0.1935
Loa Loa (eye worm) hypothetical protein 0.0549 0.0654 0.0638
Onchocerca volvulus 0.0415 0.0433 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0505 0.0581 0.0485
Brugia malayi FAT domain containing protein 0.0925 0.127 0.1255
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2184 0.3333 0.3321
Leishmania major hypothetical protein, conserved 0.0516 0.0599 0.0173
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2184 0.3333 0.3031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0415 0.0433 0.0433
Leishmania major phosphatidylinositol 3-kinase, putative 0.0437 0.0469 0.0038
Loa Loa (eye worm) phosphatidylinositol 3 0.0415 0.0433 0.0417
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2184 0.3333 0.3305
Schistosoma mansoni fkbp-rapamycin associated protein 0.1203 0.1725 0.1691
Trichomonas vaginalis PIKK family atypical protein kinase 0.2128 0.3241 0.3241
Loa Loa (eye worm) phosphatidylinositol 3 0.6252 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.1203 0.1725 0.135
Trichomonas vaginalis PIKK family atypical protein kinase 0.4982 0.7919 0.7919
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0415 0.0433 0.0417
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.2128 0.3241 0.2935
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0558 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.1265 0.1826 0.1812
Loa Loa (eye worm) phosphatidylinositol 3 0.0774 0.1022 0.1006
Trichomonas vaginalis PIKK family atypical protein kinase 0.4058 0.6403 0.6403
Entamoeba histolytica hypothetical protein 0.0415 0.0433 0.0336
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0437 0.0469 0.0469
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0818 0.1095 0.1079
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0437 0.0469 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.1679 0.2506 0.2506
Trichomonas vaginalis PIKK family atypical protein kinase 0.3718 0.5847 0.5847
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.6252 1 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0459 0.0506 0.0076
Entamoeba histolytica protein kinase rad3, putative 0.1203 0.1725 0.1641
Trichomonas vaginalis PIKK family atypical protein kinase 0.6252 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0481 0.0542 0.0503
Trichomonas vaginalis PIKK family atypical protein kinase 0.214 0.326 0.326
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0626 0.078 0.078
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0549 0.0654 0.0638
Entamoeba histolytica hypothetical protein 0.0415 0.0433 0.0336
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0437 0.0469 0.0038
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.2949 0.4587 0.4341
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0415 0.0433 0.0417
Trichomonas vaginalis PIKK family atypical protein kinase 0.4982 0.7919 0.7919
Trichomonas vaginalis PIKK family atypical protein kinase 0.5327 0.8484 0.8484
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0437 0.0469 1
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0437 0.0469 0.0453
Echinococcus multilocularis Zinc finger, PHD finger 0.0437 0.0469 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.6252 1 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0437 0.0469 0.0453
Loa Loa (eye worm) phosphatidylinositol 3 0.214 0.326 0.3249
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0925 0.127 0.1255
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0481 0.0542 0.0542
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0437 0.0469 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.3397 0.5322 0.5322
Trichomonas vaginalis PIKK family atypical protein kinase 0.4982 0.7919 0.7919
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.214 0.326 0.2955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1203 0.1725 0.1711
Trichomonas vaginalis PIKK family atypical protein kinase 0.4662 0.7394 0.7394
Trichomonas vaginalis PIKK family atypical protein kinase 0.3397 0.5322 0.5322
Trichomonas vaginalis conserved hypothetical protein 0.0788 0.1046 0.1046
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0481 0.0542 0.0526
Mycobacterium tuberculosis Conserved hypothetical protein 0.0415 0.0433 0.5
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.6252 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0437 0.0469 0.0469
Trichomonas vaginalis PIKK family atypical protein kinase 0.0415 0.0433 0.0433
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1203 0.1725 0.1711
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0415 0.0433 0.0433
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.1203 0.1725 0.135

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.353 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) -4.078 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) -4.054 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 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 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 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 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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