Detailed information for compound 1274532

Basic information

Technical information
  • TDR Targets ID: 1274532
  • Name: N-(furan-2-ylmethyl)-1-[[5-[(Z)-2-(4-methoxyp henyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfo nyl]piperidine-4-carboxamide
  • MW: 485.553 | Formula: C24H27N3O6S
  • H donors: 1 H acceptors: 4 LogP: 2.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=C\c1onc(c1S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccco1)C
  • InChi: 1S/C24H27N3O6S/c1-17-23(22(33-26-17)10-7-18-5-8-20(31-2)9-6-18)34(29,30)27-13-11-19(12-14-27)24(28)25-16-21-4-3-15-32-21/h3-10,15,19H,11-14,16H2,1-2H3,(H,25,28)/b10-7-
  • InChiKey: YAESMEAFQBXXSN-YFHOEESVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-furylmethyl)-1-[5-[(Z)-2-(4-methoxyphenyl)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-piperidine-4-carboxamide
  • N-(2-furylmethyl)-1-[[5-[(Z)-2-(4-methoxyphenyl)vinyl]-3-methyl-4-isoxazolyl]sulfonyl]-4-piperidinecarboxamide
  • N-(2-furylmethyl)-1-[5-[(Z)-2-(4-methoxyphenyl)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-isonipecotamide
  • MLS000674649
  • N-(2-furylmethyl)-1-({5-[(Z)-2-(4-methoxyphenyl)vinyl]-3-methylisoxazol-4-yl}sulfonyl)piperidine-4-carboxamide
  • SMR000314090

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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 RNA binding protein 0.02 0.2879 0.8693
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1206 0.1206
Brugia malayi RNA, U transporter 1 0.0177 0.2526 0.7627
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0223 0.3575
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0124 0.139
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0296 0.3696
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0223 0.0672
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.1499 0.1507
Brugia malayi RNA recognition motif domain containing protein 0.02 0.2879 0.8693
Loa Loa (eye worm) hypothetical protein 0.0026 0.0223 0.0224
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0223 1
Schistosoma mansoni microtubule-associated protein tau 0.0668 1 1
Brugia malayi hypothetical protein 0.003 0.0296 0.0893
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0162 0.195
Loa Loa (eye worm) hypothetical protein 0.0026 0.0223 0.0224
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0223 1
Schistosoma mansoni hypothetical protein 0.0075 0.0972 0.0972
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0296 0.3696
Echinococcus multilocularis transportin 1 0.0012 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.017 0.2424 0.2437
Loa Loa (eye worm) hypothetical protein 0.0026 0.0223 0.0224
Schistosoma mansoni tar DNA-binding protein 0.02 0.2879 0.2879
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0332 0.0332
Schistosoma mansoni hypothetical protein 0.0035 0.036 0.036
Entamoeba histolytica hypothetical protein 0.0038 0.0411 0.6778
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0411 0.0411
Trichomonas vaginalis importin beta-1, putative 0.005 0.0601 0.1558
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0601 0.1558
Onchocerca volvulus 0.0026 0.0223 0.0587
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0223 0.0672
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0223 0.3575
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0162 0.195
Echinococcus multilocularis translational activator gcn1 0.0012 0.0012 0.0012
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0223 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0296 0.3054
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0223 0.3575
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0223 1
Schistosoma mansoni ran 0.0022 0.0162 0.0162
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0223 0.3575
Brugia malayi N-terminal motif family protein 0.0191 0.2734 0.8256
Schistosoma mansoni hypothetical protein 0.0035 0.036 0.036
Trypanosoma cruzi importin beta-1 subunit, putative 0.005 0.0601 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.036 0.036
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0223 1
Toxoplasma gondii HEAT repeat-containing protein 0.0062 0.078 1
Echinococcus multilocularis GPCR, family 2 0.0035 0.036 0.036
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0296 0.3696
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0223 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0125
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1206 0.1206
Onchocerca volvulus 0.017 0.2424 0.639
Onchocerca volvulus 0.026 0.3793 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.1499 0.4526
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0665 0.9944 1
Schistosoma mansoni tar DNA-binding protein 0.02 0.2879 0.2879
Loa Loa (eye worm) kap beta 3 protein 0.0012 0.0012 0.0012
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0223 1
Schistosoma mansoni hypothetical protein 0.0665 0.9944 0.9944
Entamoeba histolytica hypothetical protein 0.0038 0.0411 0.6778
Loa Loa (eye worm) importin-beta domain-containing protein 0.0012 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0125
Brugia malayi hypothetical protein 0.0038 0.0411 0.1241
Echinococcus multilocularis importin subunit beta 1 0.0062 0.078 0.078
Leishmania major hypothetical protein, conserved 0.003 0.0296 0.4821
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0332 0.0332
Schistosoma mansoni importin-beta 2 0.0012 0.0012 0.0012
Schistosoma mansoni tar DNA-binding protein 0.02 0.2879 0.2879
Schistosoma mansoni hypothetical protein 0.0014 0.0041 0.0041
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.009 0.1206 0.1206
Plasmodium falciparum importin beta, putative 0.0062 0.078 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0062 0.078 1
Leishmania major GTP-binding protein, putative 0.0022 0.0162 0.2544
Echinococcus granulosus snurportin 1 0.0665 0.9944 0.9944
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.036 0.1087
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0411 0.0411
Brugia malayi Pre-SET motif family protein 0.0229 0.3312 1
Entamoeba histolytica Ran family GTPase 0.0022 0.0162 0.2544
Trichomonas vaginalis set domain proteins, putative 0.026 0.3793 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.2734 0.275
Entamoeba histolytica hypothetical protein 0.0038 0.0411 0.6778
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0124 0.1459
Loa Loa (eye worm) hypothetical protein 0.003 0.0296 0.0298
Echinococcus multilocularis tar DNA binding protein 0.02 0.2879 0.2879
Schistosoma mansoni tar DNA-binding protein 0.02 0.2879 0.2879
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0124 0.5
Brugia malayi hypothetical protein 0.017 0.2424 0.7317
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0125
Trichomonas vaginalis ran, putative 0.0022 0.0162 0.0396
Echinococcus granulosus importin 5 0.0012 0.0012 0.0012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0332 0.0332
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0296 0.3696
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0332 0.0332
Echinococcus multilocularis importin 5 0.0012 0.0012 0.0012
Brugia malayi Latrophilin receptor protein 2 0.0035 0.036 0.1087
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0601 0.1558
Mycobacterium ulcerans hypothetical protein 0.0026 0.0223 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0041 0.0041
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0332 0.0332
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.036 0.036
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0162 0.195
Schistosoma mansoni ran 0.0022 0.0162 0.0162
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0296 0.3696
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0223 0.0672
Brugia malayi kap beta 3 protein 0.0012 0.0012 0.0036
Trypanosoma brucei importin beta-1 subunit, putative 0.0062 0.078 1
Schistosoma mansoni importin beta-1 0.0062 0.078 0.078
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0314 0.0314
Schistosoma mansoni hypothetical protein 0.0035 0.036 0.036
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0162 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.1499 0.1507
Onchocerca volvulus 0.0033 0.0332 0.0875
Echinococcus granulosus GPCR family 2 0.0035 0.036 0.036
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0162 0.0489
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0223 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.009 0.1206 0.364
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.036 0.036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1206 0.1206
Echinococcus multilocularis snurportin 1 0.0665 0.9944 0.9944
Echinococcus granulosus geminin 0.0523 0.7782 0.7782
Leishmania major importin beta-1 subunit, putative 0.005 0.0601 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1206 0.1206
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0332 0.0332
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.009 0.1206 0.1206
Entamoeba histolytica hypothetical protein 0.0038 0.0411 0.6778
Loa Loa (eye worm) hypothetical protein 0.0035 0.036 0.0362
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.036 0.0362
Loa Loa (eye worm) hypothetical protein 0.0033 0.0332 0.0334
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0162 0.0162
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0972 0.2934
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0191 0.2734 0.7209
Brugia malayi hypothetical protein 0.002 0.0132 0.0398
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0223 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0125
Echinococcus multilocularis geminin 0.0523 0.7782 0.7782
Plasmodium vivax SET domain protein, putative 0.0033 0.0332 0.4166
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.009 0.1206 0.1206
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0223 0.5
Echinococcus granulosus importin subunit beta 1 0.0062 0.078 0.078
Loa Loa (eye worm) hypothetical protein 0.0019 0.0124 0.0125
Loa Loa (eye worm) TAR-binding protein 0.02 0.2879 0.2896
Echinococcus granulosus tar DNA binding protein 0.02 0.2879 0.2879
Echinococcus granulosus transportin 1 0.0012 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0523 0.7782 0.7782
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0411 0.0411
Schistosoma mansoni hypothetical protein 0.0038 0.0411 0.0411
Plasmodium vivax importin-beta 2, putative 0.0062 0.078 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.1499 0.4526
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0124 0.1459
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0223 0.3575
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.3312 0.3331
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0296 0.3054
Schistosoma mansoni hypothetical protein 0.0035 0.036 0.036
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0223 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.02 0.2879 0.2896
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0041 0.0041
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0162 0.0163
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0075 0.0972 0.0977
Loa Loa (eye worm) hypothetical protein 0.0062 0.078 0.0784
Echinococcus multilocularis microtubule associated protein 2 0.0668 1 1
Schistosoma mansoni hypothetical protein 0.0523 0.7782 0.7782
Brugia malayi TAR-binding protein 0.02 0.2879 0.8693
Brugia malayi Importin beta-1 subunit 0.0062 0.078 0.2355
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.036 0.036
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0332 0.4166
Schistosoma mansoni tar DNA-binding protein 0.02 0.2879 0.2879
Echinococcus granulosus translational activator gcn1 0.0012 0.0012 0.0012
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0223 0.3575
Brugia malayi Pre-SET motif family protein 0.0033 0.0332 0.1002
Loa Loa (eye worm) RNA binding protein 0.02 0.2879 0.2896
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0162 0.0162
Entamoeba histolytica hypothetical protein 0.005 0.0601 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0162 0.195
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.009 0.1206 0.1212

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0141 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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