Detailed information for compound 1649994

Basic information

Technical information
  • TDR Targets ID: 1649994
  • Name: 3-(3-chloro-2-oxo-4-phenylazetidin-1-yl)quina zolin-4-one
  • MW: 325.749 | Formula: C17H12ClN3O2
  • H donors: 0 H acceptors: 2 LogP: 2.54 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC1C(=O)N(C1c1ccccc1)n1cnc2c(c1=O)cccc2
  • InChi: 1S/C17H12ClN3O2/c18-14-15(11-6-2-1-3-7-11)21(17(14)23)20-10-19-13-9-5-4-8-12(13)16(20)22/h1-10,14-15H
  • InChiKey: HLHROVPJYKTBGW-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(3-chloro-2-oxo-4-phenyl-azetidin-1-yl)quinazolin-4-one
  • 3-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-4-quinazolinone
  • 3-(3-chloro-2-keto-4-phenyl-azetidin-1-yl)quinazolin-4-one
  • AIDS-139844
  • AIDS139844
  • NSC650013
  • NCI60_017461
  • 3-(3-Chloro-2-oxo-4-phenyl-1-azetidinyl)-4(3H)-quinazolinone

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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0262 0.2928
Mycobacterium tuberculosis Conserved protein 0.0035 0.0139 0.0155
Mycobacterium tuberculosis Conserved protein 0.0035 0.0139 0.0155
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.2268 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0262 0.2928
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0139 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0139 0.1553
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.2268 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0262 0.2928
Schistosoma mansoni o-methyltransferase 0.0124 0.0894 1
Mycobacterium tuberculosis Probable methyltransferase 0.0124 0.0894 0.1
Brugia malayi beta-lactamase 0.0035 0.0139 0.1553
Toxoplasma gondii ABC1 family protein 0.0035 0.0139 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0139 0.0612
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0139 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2268 1
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.2268 0.5
Loa Loa (eye worm) beta-lactamase 0.0035 0.0139 0.1553
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.2268 1
Brugia malayi O-methyltransferase 0.0124 0.0894 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1026 0.1147
Loa Loa (eye worm) hypothetical protein 0.0035 0.0139 0.1553
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1026 0.1026
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2268 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0139 1
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.0124 0.0894 0.8513
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2268 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1026 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0139 0.1553
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0139 0.0612
Mycobacterium ulcerans beta-lactamase 0.0035 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0035 0.0139 0.1553
Onchocerca volvulus 0.0124 0.0894 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0128 0.1434
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0139 0.5
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0139 0.0155
Loa Loa (eye worm) hypothetical protein 0.0035 0.0139 0.1553
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0139 0.0612
Schistosoma mansoni o-methyltransferase 0.0124 0.0894 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0139 0.0155
Onchocerca volvulus 0.0124 0.0894 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2268 1
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.0124 0.0894 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0139 0.0139
Schistosoma mansoni o-methyltransferase 0.0124 0.0894 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0139 0.1553
Loa Loa (eye worm) O-methyltransferase 0.0124 0.0894 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2268 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0139 0.1553
Mycobacterium tuberculosis Conserved protein 0.0035 0.0139 0.0155
Brugia malayi O-methyltransferase family protein 0.0124 0.0894 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0139 0.1553
Loa Loa (eye worm) hypothetical protein 0.0124 0.0894 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0139 0.0155
Schistosoma mansoni o-methyltransferase 0.0124 0.0894 1
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0139 0.0139
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0139 0.0155
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0139 0.0155
Mycobacterium ulcerans hypothetical protein 0.0035 0.0139 0.0139
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.107 0.8945 1
Brugia malayi beta-lactamase family protein 0.0035 0.0139 0.1553
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2268 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0139 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0139 0.0139
Leishmania major hypothetical protein, conserved 0.0035 0.0139 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0139 0.0155
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2268 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0139 0.0155
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.1751 0.1958
Brugia malayi O-methyltransferase family protein 0.0124 0.0894 1
Mycobacterium ulcerans methyltransferase 0.0124 0.0894 0.0894
Brugia malayi beta-lactamase family protein 0.0035 0.0139 0.1553
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0139 0.1553
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0139 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0262 0.2928
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2268 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0128 0.1434
Schistosoma mansoni hypothetical protein 0.0034 0.0128 0.1434
Brugia malayi O-methyltransferase family protein 0.0124 0.0894 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0139 0.0612
Trichomonas vaginalis esterase, putative 0.0035 0.0139 0.0612
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0139 0.0612
Loa Loa (eye worm) hypothetical protein 0.0035 0.0139 0.1553

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.628 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 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
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 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 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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