Detailed information for compound 1608373

Basic information

Technical information
  • TDR Targets ID: 1608373
  • Name: 3-[3-chloro-2-(4-methylphenyl)-4-oxoazetidin- 1-yl]quinazolin-4-one
  • MW: 339.776 | Formula: C18H14ClN3O2
  • H donors: 0 H acceptors: 2 LogP: 2.9 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C1C(Cl)C(=O)N1n1cnc2c(c1=O)cccc2
  • InChi: 1S/C18H14ClN3O2/c1-11-6-8-12(9-7-11)16-15(19)18(24)22(16)21-10-20-14-5-3-2-4-13(14)17(21)23/h2-10,15-16H,1H3
  • InChiKey: NVUKHYBENWSVTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[3-chloro-2-(4-methylphenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one
  • 3-[3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl]-4-quinazolinone
  • 3-[3-chloro-2-keto-4-(4-methylphenyl)azetidin-1-yl]quinazolin-4-one
  • 3-(3-Chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone
  • AIDS-139858
  • AIDS139858
  • NSC650027
  • NCI60_017475

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 0.0102 0.0257 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0281 0.7477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0257 0.684
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0138 0.0376 0.0377
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0895 0.2921 0.2932
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0884 0.2885 0.2885
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0037 0.0976
Echinococcus multilocularis lamin dm0 0.0027 0.0004 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0257 0.684
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0046 0.0068 0.0068
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0004 0.0004
Echinococcus granulosus intermediate filament protein 0.0027 0.0004 0.0004
Onchocerca volvulus 0.0884 0.2885 1
Echinococcus multilocularis 0.2116 0.7028 0.7577
Brugia malayi Protein kinase domain containing protein 0.0895 0.2921 0.2921
Schistosoma mansoni intermediate filament proteins 0.0027 0.0004 0.0004
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0138 0.0376 0.1302
Echinococcus granulosus serine:threonine protein kinase mig 15 0.2989 0.9964 1
Brugia malayi MH2 domain containing protein 0.0361 0.1128 0.1128
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0081 0.0081
Echinococcus multilocularis musashi 0.0027 0.0004 0.0004
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0138 0.0376 1
Brugia malayi TAR-binding protein 0.0067 0.0137 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.0163 0.4327
Schistosoma mansoni vam6/vps39 related 0.0884 0.2885 0.2885
Loa Loa (eye worm) hypothetical protein 0.2989 0.9964 1
Echinococcus multilocularis lamin 0.0027 0.0004 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0186 0.4963
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0884 0.2885 1
Schistosoma mansoni rap gtpase-activating protein 0.0884 0.2885 0.2885
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0257 0.684
Loa Loa (eye worm) hypothetical protein 0.0034 0.0028 0.0028
Schistosoma mansoni hypothetical protein 0.0034 0.0028 0.0028
Loa Loa (eye worm) transcription factor SMAD2 0.0361 0.1128 0.1132
Schistosoma mansoni lamin 0.0027 0.0004 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.0162 0.4316
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0308 0.8197
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0107 0.0273 0.0274
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0281 0.7477
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0895 0.2921 0.3149
Entamoeba histolytica hypothetical protein 0.0107 0.0273 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.0163 0.4327
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0138 0.0376 0.1302
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0137 0.0138
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.0162 0.4316
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0046 0.0068 0.0235
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0189 0.5037
Loa Loa (eye worm) hypothetical protein 0.0884 0.2885 0.2895
Brugia malayi hypothetical protein 0.0107 0.0273 0.0273
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0257 0.684
Loa Loa (eye worm) hypothetical protein 0.0884 0.2885 0.2895
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0884 0.2885 1
Brugia malayi intermediate filament protein 0.0027 0.0004 0.0004
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0138 0.0376 0.1302
Echinococcus granulosus lamin dm0 0.0027 0.0004 0.0004
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0895 0.2921 0.2932
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0046 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0028 0.0007 0.0007
Trypanosoma cruzi target of rapamycin kinase 3 0.011 0.0281 0.0975
Schistosoma mansoni microtubule-associated protein tau 0.2784 0.9275 0.9275
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.011 0.0281 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0068 0.1803
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0057 0.0105 0.0363
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0138 0.0376 1
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0884 0.2885 0.311
Echinococcus granulosus protein kinase 0.2116 0.7028 0.7053
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.0163 0.4327
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0137 0.0137
Entamoeba histolytica hypothetical protein 0.0107 0.0273 0.7261
Schistosoma mansoni hypothetical protein 0.0107 0.0273 0.0273
Brugia malayi hypothetical protein 0.0884 0.2885 0.2885
Echinococcus granulosus lamin 0.0027 0.0004 0.0004
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0137 0.0137
Entamoeba histolytica hypothetical protein 0.0107 0.0273 0.7261
Schistosoma mansoni protein kinase 0.0895 0.2921 0.2921
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0189 0.5037
Trypanosoma brucei target of rapamycin kinase 3, putative 0.011 0.0281 0.0975
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0895 0.2921 0.3149
Loa Loa (eye worm) MH2 domain-containing protein 0.0361 0.1128 0.1132
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0046 0.0068 0.0235
Loa Loa (eye worm) phosphatidylinositol 3 0.0138 0.0376 0.0377
Schistosoma mansoni transcription factor LCR-F1 0.0107 0.0273 0.0273
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0046 0.0068 0.0235
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0895 0.2921 0.3149
Schistosoma mansoni hypothetical protein 0.0884 0.2885 0.2885
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0046 0.0068 0.0068
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0138 0.0376 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0046 0.0068 0.0068
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0046 0.0068 0.0235
Schistosoma mansoni protein kinase 0.2116 0.7028 0.7028
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0137 0.0138
Entamoeba histolytica hypothetical protein 0.0107 0.0273 0.7261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0082 0.0189 0.5037
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0137 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0092 0.0223 0.594
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0068 0.1803
Loa Loa (eye worm) RNA binding protein 0.0067 0.0137 0.0138
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0281 0.7477
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0138 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.0027 0.0004 0.0004
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0138 0.0376 0.0405
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0137 0.0137
Schistosoma mansoni serine/threonine protein kinase 0.0895 0.2921 0.2921
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.0163 0.4327
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.2116 0.7028 0.7053
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0884 0.2885 0.2885
Onchocerca volvulus 0.0052 0.0088 0.0293
Loa Loa (eye worm) hypothetical protein 0.0027 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0281 0.7477
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0137 0.0148
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0884 0.2885 1
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0895 0.2921 0.2932
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0137 0.0137
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0138 0.0376 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0081 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0068 0.1803
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0046 0.0068 0.0073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0138 0.0376 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.001 0.0266
Brugia malayi Temporarily assigned gene name protein 59 0.0884 0.2885 0.2885
Trichomonas vaginalis PIKK family atypical protein kinase 0.0138 0.0376 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0081 0.0186 0.4963
Toxoplasma gondii target of rapamycin (TOR), putative 0.0102 0.0257 1
Schistosoma mansoni serine/threonine protein kinase 0.0895 0.2921 0.2921
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0107 0.0273 0.0294
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0138 0.0376 0.0376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0257 0.684
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0029 0.001 0.039
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0895 0.2921 0.2932
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0065 0.0131 0.0456
Echinococcus multilocularis tumor protein p63 0.0357 0.1113 0.12
Echinococcus granulosus Vam6:Vps39 protein 0.0884 0.2885 0.2895
Loa Loa (eye worm) hypothetical protein 0.0884 0.2885 0.2895
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0029 0.001 0.001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0138 0.0376 1
Schistosoma mansoni protein kinase 0.3 1 1
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0884 0.2885 0.2895
Trichomonas vaginalis PIKK family atypical protein kinase 0.0089 0.0213 0.5673
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0004 0.0004
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0088 0.0088
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0138 0.0376 0.1302
Echinococcus granulosus microtubule associated protein 2 0.2784 0.9275 0.9309
Echinococcus multilocularis microtubule associated protein 2 0.2784 0.9275 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0074 0.0162 0.4316
Echinococcus granulosus tumor protein p63 0.0357 0.1113 0.1117
Brugia malayi RNA binding protein 0.0067 0.0137 0.0137
Trichomonas vaginalis PIKK family atypical protein kinase 0.0102 0.0257 0.684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0068 0.1803
Giardia lamblia GTOR 0.0138 0.0376 0.5
Echinococcus granulosus tar DNA binding protein 0.0067 0.0137 0.0138
Schistosoma mansoni lamin 0.0027 0.0004 0.0004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0081 0.0082
Trichomonas vaginalis PIKK family atypical protein kinase 0.011 0.0281 0.7477
Loa Loa (eye worm) hypothetical protein 0.0052 0.0088 0.0088
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0081 0.0081
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0028 0.0028
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0004 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.0068 0.1803

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.631 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) -4.529 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 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 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

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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