Detailed information for compound 1647975

Basic information

Technical information
  • TDR Targets ID: 1647975
  • Name: 3-[3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4 -oxoazetidin-1-yl]quinazolin-4-one
  • MW: 499.541 | Formula: C17H10Br2ClN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.57 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cc(Br)c(c(c1)C1C(Cl)C(=O)N1n1cnc2c(c1=O)cccc2)O
  • InChi: 1S/C17H10Br2ClN3O3/c18-8-5-10(15(24)11(19)6-8)14-13(20)17(26)23(14)22-7-21-12-4-2-1-3-9(12)16(22)25/h1-7,13-14,24H
  • InChiKey: YIMYRGPQEMTRNW-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[3-chloro-2-(3,5-dibromo-2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one
  • 3-[3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl]-4-quinazolinone
  • 3-[3-chloro-2-(3,5-dibromo-2-hydroxy-phenyl)-4-keto-azetidin-1-yl]quinazolin-4-one
  • NCI60_017474
  • 3-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone
  • AIDS-139857
  • AIDS139857
  • NSC650026

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
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Onchocerca volvulus 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.3282 0.3282
Loa Loa (eye worm) hypothetical protein 0.0081 0.3282 0.3282
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.3282 0.3282
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0153 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0153 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0153 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0153 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0153 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0153 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Echinococcus multilocularis ecdysone induced protein 78C 0.0153 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0153 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0153 1 1
Echinococcus multilocularis muscleblind protein 1 0.0136 0.8469 0.7965
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0153 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0153 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0153 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0153 1 1
Brugia malayi conserved hypotetical protein 0.0072 0.2476 0.2476
Brugia malayi nuclear receptor NHR-67 0.0072 0.2476 0.2476
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0153 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0072 0.2476 0.2476
Loa Loa (eye worm) hypothetical protein 0.0081 0.3282 0.3282
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0153 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0153 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0081 0.3282 0.1071
Schistosoma mansoni thyroid hormone receptor 0.0153 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0081 0.3282 0.3282
Loa Loa (eye worm) hypothetical protein 0.0136 0.8469 0.8469
Onchocerca volvulus Protein ultraspiracle homolog 0.0153 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0153 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0153 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0153 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0153 1 1
Echinococcus multilocularis muscleblind protein 0.0136 0.8469 0.7965
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0153 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0153 1 1
Brugia malayi hypothetical protein 0.0072 0.2476 0.2476
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0153 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0153 1 1
Brugia malayi hypothetical protein 0.0081 0.3282 0.3282
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0153 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0081 0.3282 0.3282
Schistosoma mansoni nuclear hormone receptor 0.0153 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0072 0.2476 0.2476
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0153 1 1
Brugia malayi steroid hormone receptor 0.0153 1 1
Brugia malayi ecdysone receptor 0.0072 0.2476 0.2476
Loa Loa (eye worm) nuclear hormone receptor 0.0072 0.2476 0.2476
Brugia malayi Nuclear hormone receptor E75 0.0072 0.2476 0.2476
Brugia malayi nuclear hormone receptor 0.0153 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0153 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0081 0.3282 0.1071
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Echinococcus granulosus FTZ F1 alpha 0.0153 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0072 0.2476 0.2476
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0081 0.3282 0.1071
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Brugia malayi tailless protein 0.0072 0.2476 0.2476
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0153 1 1
Brugia malayi nuclear receptor RXR 0.0072 0.2476 0.2476
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0153 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0153 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0153 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0153 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Brugia malayi nuclear receptor NHR-88 0.0072 0.2476 0.2476
Brugia malayi Nuclear hormone receptor-like 1 0.0081 0.3282 0.3282
Brugia malayi orphan nuclear receptor NR2E1 0.0072 0.2476 0.2476
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Echinococcus granulosus ecdysone induced protein 78C 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Brugia malayi photoreceptor-specific nuclear receptor 0.0153 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.3282 0.3282
Brugia malayi hypothetical protein 0.0072 0.2476 0.2476
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0153 1 1
Schistosoma mansoni coup transcription factor 0.0153 1 1
Schistosoma mansoni thyroid hormone receptor 0.0153 1 1
Brugia malayi hypothetical protein 0.0081 0.3282 0.3282
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Brugia malayi nuclear hormone receptor 0.0072 0.2476 0.2476
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0072 0.2476 0.2476
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Brugia malayi nuclear receptor NHR-88 0.0153 1 1
Echinococcus granulosus muscleblind protein 0.0136 0.8469 0.7965
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0081 0.3282 0.1071
Brugia malayi Nuclear hormone receptor E75 0.0072 0.2476 0.2476
Brugia malayi nuclear receptor RXR 0.0081 0.3282 0.3282
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0153 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.8469 0.8469
Loa Loa (eye worm) hypothetical protein 0.0153 1 1
Brugia malayi Muscleblind-like protein 0.0136 0.8469 0.8469
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0153 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0153 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2476 0.2476
Loa Loa (eye worm) nuclear receptor NHR-67 0.0072 0.2476 0.2476
Schistosoma mansoni retinoic acid receptor RXR 0.0153 1 1
Loa Loa (eye worm) DR-78 0.0072 0.2476 0.2476
Onchocerca volvulus Bile acid receptor homolog 0.0153 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.775 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) -4.726 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) -4.721 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
GI50 (functional) -4.683 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) -4.624 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) -4.56 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) -4.549 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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