Detailed information for compound 1588864

Basic information

Technical information
  • TDR Targets ID: 1588864
  • Name: 4-methyl-N-(4-oxo-1-prop-2-enylazetidin-2-yl) -N-prop-2-enylbenzenesulfonamide
  • MW: 320.407 | Formula: C16H20N2O3S
  • H donors: 0 H acceptors: 3 LogP: 2.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN(S(=O)(=O)c1ccc(cc1)C)C1CC(=O)N1CC=C
  • InChi: 1S/C16H20N2O3S/c1-4-10-17-15(12-16(17)19)18(11-5-2)22(20,21)14-8-6-13(3)7-9-14/h4-9,15H,1-2,10-12H2,3H3
  • InChiKey: ZENIVTWRELYEBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-allyl-N-(1-allyl-4-oxo-azetidin-2-yl)-4-methyl-benzenesulfonamide
  • N-allyl-N-(1-allyl-4-oxo-2-azetidinyl)-4-methylbenzenesulfonamide
  • N-allyl-N-(1-allyl-4-keto-azetidin-2-yl)-4-methyl-benzenesulfonamide
  • 4-methyl-N-(4-oxo-1-prop-2-enyl-azetidin-2-yl)-N-prop-2-enyl-benzenesulfonamide
  • NCI60_037122
  • NSC704086

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) nuclear hormone receptor family member nhr-1 0.002 0.0092 0.0206
Loa Loa (eye worm) hypothetical protein 0.002 0.0092 0.0206
Loa Loa (eye worm) hypoxia-induced factor 1 0.0147 0.1697 0.3806
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0248 0.0948
Loa Loa (eye worm) hypothetical protein 0.002 0.0092 0.0206
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0018 0.004
Echinococcus granulosus lamin 0.0026 0.0172 0.0659
Schistosoma mansoni hypothetical protein 0.0182 0.2135 0.81
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0092 0.0206
Brugia malayi nuclear hormone receptor 0.002 0.0092 0.0167
Schistosoma mansoni intermediate filament proteins 0.0026 0.0172 0.0319
Echinococcus granulosus sodium and chloride dependent glycine 0.0157 0.182 0.6965
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0225 0.0467
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0092 0.0167
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.022 0.2614 0.586
Echinococcus granulosus geminin 0.0182 0.2135 0.8167
Onchocerca volvulus 0.0031 0.0225 0.0528
Loa Loa (eye worm) TAR-binding protein 0.0125 0.1415 0.3172
Plasmodium falciparum amino acid transporter, putative 0.0031 0.0225 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0092 0.0206
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0589 0.0463
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0092 0.0167
Schistosoma mansoni hypothetical protein 0.0032 0.0248 0.0619
Echinococcus granulosus GPCR family 2 0.0032 0.0248 0.0948
Onchocerca volvulus 0.0031 0.0225 0.0528
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0092 0.0206
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0367 0.446 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0157 0.182 0.6855
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0092 0.0351
Onchocerca volvulus 0.0031 0.0225 0.0528
Brugia malayi hypothetical protein 0.0031 0.0225 0.0467
Brugia malayi nuclear receptor NHR-88 0.002 0.0092 0.0167
Mycobacterium ulcerans short chain dehydrogenase 0.0558 0.6873 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0248 0.0555
Schistosoma mansoni sodium/chloride dependent transporter 0.0031 0.0225 0.0528
Brugia malayi TAR-binding protein 0.0125 0.1415 0.3145
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0284 0.0599
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0092 0.0167
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0092 0.0206
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.113 0.2504
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0172 0.0386
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0092 0.0351
Brugia malayi hypoxia-induced factor 1 0.0147 0.1697 0.3781
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0031 0.0225 0.5
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0031 0.0225 0.0861
Loa Loa (eye worm) hypothetical protein 0.007 0.0722 0.1618
Loa Loa (eye worm) hypothetical protein 0.0031 0.0225 0.0504
Loa Loa (eye worm) hypothetical protein 0.002 0.0092 0.0206
Leishmania major C-8 sterol isomerase-like protein 0.0367 0.446 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0248 0.0248
Schistosoma mansoni sodium/chloride dependent transporter 0.0157 0.182 0.6855
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0092 0.0167
Echinococcus granulosus vesicular acetylcholine transporter 0.022 0.2614 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0589 0.0463
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0092 0.0092
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0092 0.0167
Loa Loa (eye worm) hypothetical protein 0.002 0.0092 0.0206
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0172 0.0386
Schistosoma mansoni lamin 0.0026 0.0172 0.0319
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0589 0.0589
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0092 0.0167
Brugia malayi ecdysteroid receptor 0.002 0.0092 0.0167
Loa Loa (eye worm) RNA binding protein 0.0125 0.1415 0.3172
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0722 0.1584
Loa Loa (eye worm) hypothetical protein 0.0031 0.0225 0.0504
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0589 0.0463
Brugia malayi vesicular acetylcholine transporter unc-17 0.022 0.2614 0.5844
Echinococcus granulosus serotonin transporter 0.0031 0.0225 0.0861
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0589 0.1971
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0092 0.0167
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.1415 0.3145
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1415 0.5247
Loa Loa (eye worm) hypothetical protein 0.0031 0.0225 0.0504
Loa Loa (eye worm) hypothetical protein 0.0031 0.0225 0.0504
Echinococcus multilocularis musashi 0.0026 0.0172 0.0172
Trypanosoma brucei C-8 sterol isomerase, putative 0.0367 0.446 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0225 0.0504
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1415 0.5247
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0157 0.182 0.4058
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0092 0.0351
Loa Loa (eye worm) hypothetical protein 0.0026 0.0166 0.0372
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.1415 0.3172
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0589 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0157 0.182 0.4082
Schistosoma mansoni hypothetical protein 0.0182 0.2135 0.81
Echinococcus multilocularis geminin 0.0182 0.2135 0.2135
Loa Loa (eye worm) hypothetical protein 0.0157 0.182 0.4082
Echinococcus granulosus intermediate filament protein 0.0026 0.0172 0.0659
Schistosoma mansoni aryl hydrocarbon receptor 0.0048 0.044 0.138
Echinococcus granulosus FTZ F1 alpha 0.002 0.0092 0.0351
Onchocerca volvulus 0.0026 0.0172 0.0319
Loa Loa (eye worm) serotonin transporter b 0.0031 0.0225 0.0504
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0092 0.0167
Onchocerca volvulus 0.0031 0.0225 0.0528
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0284 0.0284
Mycobacterium tuberculosis Probable oxidoreductase 0.0558 0.6873 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0367 0.446 1
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0092 0.0351
Loa Loa (eye worm) hypothetical protein 0.002 0.0092 0.0206
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0031 0.0225 0.0467
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0092 0.0167
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.022 0.2614 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.113 0.2533
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.0225 0.0528
Brugia malayi RNA binding protein 0.0125 0.1415 0.3145
Loa Loa (eye worm) hypothetical protein 0.0026 0.0172 0.0386
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0589 0.1971
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0092 0.0092
Echinococcus granulosus tar DNA binding protein 0.0125 0.1415 0.5413
Echinococcus granulosus sodium and chloride dependent glycine 0.0157 0.182 0.6965
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1415 0.5247
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.113 0.2533
Loa Loa (eye worm) hypothetical protein 0.0157 0.182 0.4082
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0092 0.0351
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0092 0.0167
Onchocerca volvulus 0.0035 0.0284 0.0761
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0225 0.0528
Loa Loa (eye worm) solute carrier family 6 member 4 0.0031 0.0225 0.0504
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0248 0.0518
Onchocerca volvulus 0.0026 0.0172 0.0319
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0225 0.0467
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1415 0.5247
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0031 0.0225 0.0861
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0031 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.016 0.1854 0.4156
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0248 0.0248
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0092 0.0092
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0092 0.0167
Schistosoma mansoni hypothetical protein 0.0032 0.0248 0.0619
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0092 0.0167
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0248 0.0948
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0367 0.446 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0225 0.0504
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0092 0.0206
Echinococcus granulosus single minded 2 0.0035 0.0284 0.1086
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0092 0.0167
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0092 0.0206
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0031 0.0225 0.0225
Loa Loa (eye worm) hypothetical protein 0.0187 0.2201 0.4935
Plasmodium falciparum transporter, putative 0.0031 0.0225 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0172 0.0348
Brugia malayi intermediate filament protein 0.0026 0.0172 0.0348
Echinococcus multilocularis vesicular acetylcholine transporter 0.022 0.2614 0.2614
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0225 0.0528
Echinococcus multilocularis sodium and chloride dependent glycine 0.0157 0.182 0.182
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0092 0.0351
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0589 0.2253
Schistosoma mansoni hypothetical protein 0.007 0.0722 0.2497
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0092 0.0092
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0092 0.0092
Echinococcus multilocularis sodium and chloride dependent glycine 0.0157 0.182 0.182
Echinococcus multilocularis serotonin transporter 0.0031 0.0225 0.0225
Schistosoma mansoni vesicular acetylcholine transporter 0.022 0.2614 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0092 0.0167
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0031 0.0225 0.0861
Brugia malayi PAS domain containing protein 0.0048 0.044 0.095
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0092 0.0092
Schistosoma mansoni hypothetical protein 0.0032 0.0248 0.0619
Loa Loa (eye worm) norepinephrine transporter 0.0031 0.0225 0.0504
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.0225 0.0504
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0092 0.0092
Schistosoma mansoni tar DNA-binding protein 0.0125 0.1415 0.5247
Echinococcus multilocularis tar DNA binding protein 0.0125 0.1415 0.1415
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0225 0.0528
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0092 0.0092
Loa Loa (eye worm) hypothetical protein 0.0032 0.0248 0.0555
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.0225 0.0528
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0092 0.0351
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0031 0.0225 0.0861
Loa Loa (eye worm) hypothetical protein 0.002 0.0092 0.0206
Treponema pallidum sodium- and chloride- dependent transporter 0.0031 0.0225 0.5
Schistosoma mansoni lamin 0.0026 0.0172 0.0319
Echinococcus multilocularis lamin dm0 0.0026 0.0172 0.0172
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0225 0.0528
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0092 0.0167
Echinococcus multilocularis GPCR, family 2 0.0032 0.0248 0.0248
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0092 0.0167
Schistosoma mansoni hypothetical protein 0.0032 0.0248 0.0619
Plasmodium vivax amine transporter, putative 0.0031 0.0225 0.5
Echinococcus granulosus lamin dm0 0.0026 0.0172 0.0659
Brugia malayi hypothetical protein 0.016 0.1854 0.4133
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.0225 0.0528
Loa Loa (eye worm) hypothetical protein 0.0031 0.0225 0.0504
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0248 0.0518
Loa Loa (eye worm) hypothetical protein 0.002 0.0092 0.0206
Schistosoma mansoni sodium-dependent amino acid transporter 0.0031 0.0225 0.0528
Brugia malayi steroid hormone receptor 0.002 0.0092 0.0167
Echinococcus multilocularis lamin 0.0026 0.0172 0.0172
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.0225 0.0528
Loa Loa (eye worm) hypothetical protein 0.002 0.0092 0.0206
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.0225 0.0467
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0092 0.0206
Loa Loa (eye worm) hypothetical protein 0.0031 0.0225 0.0504
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.113 0.2504
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0092 0.0351
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.0225 0.0528
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0225 0.5
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0031 0.0225 0.0225
Schistosoma mansoni single-minded 0.0048 0.044 0.138

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.21 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 MDA-N Breast 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 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 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 HOP-92 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 DU-145 Prostate 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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