Detailed information for compound 1603831

Basic information

Technical information
  • TDR Targets ID: 1603831
  • Name: N-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin -1-yl]-2-phenylacetamide
  • MW: 330.766 | Formula: C17H15ClN2O3
  • H donors: 2 H acceptors: 3 LogP: 2.43 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NN1C(=O)C(C1c1ccccc1O)Cl)Cc1ccccc1
  • InChi: 1S/C17H15ClN2O3/c18-15-16(12-8-4-5-9-13(12)21)20(17(15)23)19-14(22)10-11-6-2-1-3-7-11/h1-9,15-16,21H,10H2,(H,19,22)
  • InChiKey: OWSHVQCLIWFXCE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-chloro-2-(2-hydroxyphenyl)-4-oxo-azetidin-1-yl]-2-phenyl-acetamide
  • N-[3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl]-2-phenylacetamide
  • N-[3-chloro-2-(2-hydroxyphenyl)-4-keto-azetidin-1-yl]-2-phenyl-acetamide
  • N-[3-chloro-2-(2-hydroxyphenyl)-4-oxo-azetidin-1-yl]-2-phenyl-ethanamide
  • NSC649999
  • NCI60_017447
  • AIDS-139831
  • AIDS139831
  • N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide

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 voltage and ligand gated potassium channel, putative 0.0038 0.175 1
Giardia lamblia hypothetical protein 0.0012 0.0055 0.5
Loa Loa (eye worm) hypothetical protein 0.0147 0.9159 0.9159
Brugia malayi amine oxidase, flavin-containing family protein 0.0042 0.2075 0.2075
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.1929 0.1929
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0147 0.9159 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.1234 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.157 0.157
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.1161 0.1161
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.1234 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.1161 0.1161
Brugia malayi Cytochrome P450 family protein 0.0061 0.3326 0.3326
Schistosoma mansoni amine oxidase 0.003 0.1234 0.1348
Echinococcus granulosus lysine specific histone demethylase 1A 0.003 0.1234 0.1348
Entamoeba histolytica hypothetical protein 0.0012 0.0055 0.5
Brugia malayi SWIRM domain containing protein 0.0012 0.0055 0.0055
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.003 0.1234 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.003 0.1234 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0055 0.0055
Mycobacterium tuberculosis Possible oxidoreductase 0.003 0.1234 1
Loa Loa (eye worm) hypothetical protein 0.016 1 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.003 0.1234 0.5
Brugia malayi Cytochrome P450 family protein 0.0029 0.1161 0.1161
Onchocerca volvulus 0.016 1 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.1161 0.8982
Toxoplasma gondii cytochrome p450 superfamily protein 0.0019 0.0516 0.3912
Brugia malayi Cytochrome P450 family protein 0.0019 0.0516 0.0516
Trypanosoma brucei cytochrome P450, putative 0.0029 0.1161 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0029 0.1161 0.8982
Brugia malayi hypothetical protein 0.003 0.1234 0.1234
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.003 0.1234 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.1929 0.2106
Loa Loa (eye worm) hypothetical protein 0.0147 0.9159 0.9159
Schistosoma mansoni SWI/SNF complex-related 0.0012 0.0055 0.006
Schistosoma mansoni hypothetical protein 0.0019 0.0516 0.0563
Schistosoma mansoni cytochrome P450 0.0019 0.0516 0.0563
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.175 1
Echinococcus granulosus cytochrome P450 2K1 0.0019 0.0516 0.0563
Schistosoma mansoni amine oxidase 0.003 0.1234 0.1348
Echinococcus granulosus lysine specific histone demethylase 1A 0.0147 0.9159 1
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.2178 0.2379
Entamoeba histolytica SWIRM domain protein 0.0012 0.0055 0.5
Leishmania major cytochrome p450-like protein 0.0029 0.1161 0.8982
Loa Loa (eye worm) hypothetical protein 0.003 0.1234 0.1234
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.1929 0.2106
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.003 0.1234 0.5
Brugia malayi Cytochrome P450 family protein 0.0029 0.1161 0.1161
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.003 0.1234 1
Leishmania major UDP-galactopyranose mutase 0.003 0.1234 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0061 0.3326 0.3326
Toxoplasma gondii histone lysine-specific demethylase 0.003 0.1234 1
Entamoeba histolytica SWIRM domain protein 0.0012 0.0055 0.5
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0012 0.0055 0.006
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0012 0.0055 0.006
Plasmodium vivax protoporphyrinogen oxidase, putative 0.003 0.1234 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.003 0.1234 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.1234 0.1234
Mycobacterium ulcerans monoamine oxidase 0.003 0.1234 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.003 0.1234 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.1234 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0147 0.9159 1
Echinococcus multilocularis 0.003 0.1234 0.1348
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.1929 0.1929
Echinococcus multilocularis protoporphyrinogen oxidase 0.003 0.1234 0.1348
Echinococcus multilocularis 0.0019 0.0516 0.0563
Trypanosoma cruzi UDP-galactopyranose mutase 0.003 0.1234 1
Mycobacterium ulcerans dehydrogenase 0.003 0.1234 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.003 0.1234 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.2075 0.2075
Trypanosoma cruzi cytochrome P450, putative 0.0029 0.1161 0.8982
Mycobacterium ulcerans oxidoreductase 0.003 0.1234 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.003 0.1234 1
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.2178 0.2379
Brugia malayi cytochrome P450 0.0019 0.0516 0.0516
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.003 0.1234 0.1348
Loa Loa (eye worm) cytochrome P450 0.0019 0.0516 0.0516
Loa Loa (eye worm) CYP4Cod1 0.0029 0.1161 0.1161
Plasmodium falciparum protoporphyrinogen oxidase 0.003 0.1234 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.494 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) -5.343 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) -5.156 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) -4.709 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) -4.691 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) -4.555 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C 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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