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

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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