Detailed information for compound 585554

Basic information

Technical information
  • TDR Targets ID: 585554
  • Name: (E)-3-(4-dimethylaminophenyl)prop-2-enal oxim e
  • MW: 190.242 | Formula: C11H14N2O
  • H donors: 1 H acceptors: 1 LogP: 2.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/C=C/c1ccc(cc1)N(C)C
  • InChi: 1S/C11H14N2O/c1-13(2)11-7-5-10(6-8-11)4-3-9-12-14/h3-9,14H,1-2H3/b4-3+,12-9+
  • InChiKey: VVXNJNRNJLPFCT-GMHKHPCXSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(4-dimethylaminophenyl)-2-propenal oxime
  • (NE)-N-[(E)-3-(4-dimethylaminophenyl)prop-2-enylidene]hydroxylamine
  • (E)-3-(4-dimethylaminophenyl)acrylaldoxime
  • 4-(N,N-dimethylamino)cinnamaldoxime
  • 83387-07-9
  • 2-Propenal, 3-(4-(dimethylamino)phenyl)-, oxime
  • 3-(4-(Dimethylamino)phenyl)-2-propenal oxime
  • AG-205/11956610

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transient receptor potential cation channel, subfamily A, member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus transient receptor potential cation channel Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum ko:K04984 transient receptor potential cation channel, subfamily A, member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma mansoni transient receptor potential cation channel subfamily A member Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus granulosus ankyrin repeat protein Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus multilocularis ankyrin repeat protein Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
Echinococcus multilocularis transient receptor potential cation channel Get druggable targets OG5_132409 All targets in OG5_132409
Schistosoma japonicum Transient receptor potential cation channel subfamily A member 1, putative Get druggable targets OG5_132409 All targets in OG5_132409
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 F/Y-rich N-terminus family protein 0.0009 0.0043 0.01
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0081 0.1123 0.111
Echinococcus multilocularis protein patched 0.0041 0.053 0.0517
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0259 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0259 0.0859
Loa Loa (eye worm) hypothetical protein 0.0096 0.1352 0.4692
Schistosoma mansoni cpg binding protein 0.0029 0.0339 0.0325
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0018 0.0004
Brugia malayi CXXC zinc finger family protein 0.0029 0.0339 0.1138
Loa Loa (eye worm) hypothetical protein 0.005 0.0652 0.2238
Echinococcus multilocularis Fatty acid desaturase, type 1 0.002 0.0208 0.0194
Echinococcus granulosus ankyrin repeat protein 0.0192 0.2779 0.2769
Loa Loa (eye worm) fatty acid desaturase 0.002 0.0208 0.0679
Loa Loa (eye worm) hypothetical protein 0.0051 0.0669 0.2297
Echinococcus granulosus expressed conserved protein 0.0091 0.1264 0.1252
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.1352 0.1339
Onchocerca volvulus 0.002 0.0208 0.0677
Loa Loa (eye worm) hypothetical protein 0.0041 0.053 0.181
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.002 0.0208 0.7907
Leishmania major delta-4 fatty acid desaturase 0.002 0.0208 0.0679
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.002 0.0208 0.9539
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0018 0.0004
Leishmania major stearic acid desaturase, putative 0.002 0.0217 0.0712
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.053 0.0517
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.002 0.0217 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.002 0.0208 0.0679
Schistosoma mansoni hypothetical protein 0.004 0.0508 0.0494
Loa Loa (eye worm) fatty acid desaturase 0.002 0.0208 0.0679
Loa Loa (eye worm) hypothetical protein 0.0017 0.0171 0.0551
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.002 0.0208 0.8021
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0438 0.0425
Mycobacterium ulcerans hypothetical protein 0.002 0.0217 0.8289
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.002 0.0208 0.0679
Trypanosoma brucei cytochrome b5-dependent oleate desaturase 0.002 0.0208 0.9539
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0171 1
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.002 0.0217 1
Trypanosoma brucei delta-4 fatty acid desaturase 0.002 0.0208 0.9539
Schistosoma mansoni hypothetical protein 0.004 0.0508 0.0494
Echinococcus multilocularis microtubule associated protein 2 0.0675 1 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.1352 0.4692
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0014 0.0546
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0259 0.183
Loa Loa (eye worm) hypothetical protein 0.0017 0.0171 0.0551
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0157 0.6071
Mycobacterium ulcerans electron transfer protein FdxB 0.002 0.0208 0.7907
Echinococcus granulosus Protein patched homolog 1 0.0041 0.053 0.0517
Loa Loa (eye worm) FAT-3 protein 0.0198 0.2865 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0014 0.0546
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0259 1
Echinococcus multilocularis dnaJ subfamily B 0.0406 0.5983 0.5977
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0652 0.2238
Loa Loa (eye worm) hypothetical protein 0.0023 0.0259 0.0859
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0014 0.0546
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0259 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0146 0.0464
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.002 0.0208 0.2743
Leishmania major delta-6 fatty acid desaturase 0.002 0.0217 0.0712
Brugia malayi Delta5 fatty acid desaturase 0.0198 0.2865 1
Schistosoma mansoni hypothetical protein 0.0034 0.0418 0.0405
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0259 0.183
Mycobacterium ulcerans hypothetical protein 0.002 0.0208 0.7907
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0259 1
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0171 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0157 0.6071
Onchocerca volvulus 0.0023 0.0259 0.0856
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0146 0.0133
Leishmania major fatty acid desaturase, putative 0.002 0.0208 0.0679
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0259 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0418 0.1417
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0146 0.0133
Leishmania major delta-12 fatty acid desaturase 0.002 0.0208 0.0679
Loa Loa (eye worm) hypothetical protein 0.0016 0.0146 0.0464
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.1352 0.1339
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0014 0.0546
Loa Loa (eye worm) hypothetical protein 0.0178 0.2569 0.8964
Brugia malayi Fatty acid desaturase family protein 0.002 0.0208 0.0679
Brugia malayi CHE-14 protein 0.0041 0.053 0.181
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0259 1
Schistosoma mansoni fatty acid desaturase 0.0198 0.2874 0.2864
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.1352 1
Mycobacterium tuberculosis Probable conserved membrane protein 0.002 0.0217 0.8382
Loa Loa (eye worm) hypothetical protein 0.0017 0.0171 0.0551
Brugia malayi hypothetical protein 0.0035 0.0438 0.1488
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0146 0.0464
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0014 0.0546
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.002 0.0208 0.7907
Schistosoma mansoni hypothetical protein 0.0081 0.1123 0.111
Echinococcus multilocularis transient receptor potential cation channel 0.0196 0.2838 0.2828
Entamoeba histolytica hypothetical protein 0.0035 0.0438 0.3171
Schistosoma mansoni hypothetical protein 0.004 0.0508 0.0494
Loa Loa (eye worm) hypothetical protein 0.0017 0.0171 0.0551
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0652 0.2238
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.002 0.0208 0.0194
Loa Loa (eye worm) hypothetical protein 0.0198 0.2865 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0044 0.003
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0044 0.003
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0171 0.6421
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0014 0.0546
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0014 0.0546
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0652 0.2238
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0133
Echinococcus granulosus transient receptor potential cation channel 0.0196 0.2838 0.2828
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.002 0.0208 0.0679
Brugia malayi Fatty acid desaturase family protein 0.002 0.0208 0.0679
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.002 0.0208 0.8021
Entamoeba histolytica hypothetical protein 0.0035 0.0438 0.3171
Schistosoma mansoni hypothetical protein 0.0406 0.5983 0.5977
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0438 0.0425
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0014 0.0546
Schistosoma mansoni hypothetical protein 0.0035 0.0438 0.0425
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0018 0.0004
Schistosoma mansoni cpg binding protein 0.003 0.0363 0.0349
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0438 0.0425
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0192 0.2779 0.2769
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0259 0.0859
Schistosoma mansoni cpg binding protein 0.003 0.0363 0.0349
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.053 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0259 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.002 0.0208 0.7907
Trypanosoma cruzi fatty acid desaturase, putative 0.002 0.0217 1
Echinococcus granulosus cpg binding protein 0.003 0.0363 0.0349
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0259 0.0859
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0081 0.1123 0.3889
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0081 0.1123 0.111
Onchocerca volvulus 0.0029 0.0339 0.1135
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0081 0.1123 0.111
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0014 0.0546
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0259 1
Entamoeba histolytica hypothetical protein 0.0035 0.0438 0.3171
Echinococcus multilocularis ankyrin repeat protein 0.0192 0.2779 0.2769
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0014 0.01
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.002 0.0208 0.0679
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.072 1
Schistosoma mansoni patched 1 0.0041 0.053 0.0517
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0014 0.0546
Trypanosoma cruzi fatty acid desaturase, putative 0.002 0.0208 0.9539
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.002 0.0208 0.0194
Leishmania major delta-5 fatty acid desaturase 0.0198 0.2865 1
Schistosoma mansoni hypothetical protein 0.0081 0.1123 0.111
Echinococcus granulosus GPCR family 2 0.0016 0.0146 0.0133
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.053 0.0517
Echinococcus multilocularis GPCR, family 2 0.0016 0.0146 0.0133
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0133
Loa Loa (eye worm) hypothetical protein 0.0023 0.0259 0.0859
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.002 0.0208 0.7907
Echinococcus multilocularis cpg binding protein 0.003 0.0363 0.0349
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0146 0.0133
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0418 0.1417
Schistosoma mansoni hypothetical protein 0.0081 0.1123 0.111
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0157 0.6071
Trypanosoma brucei fatty acid desaturase, putative 0.002 0.0217 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0259 0.0859
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0339 0.1138
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0157 0.6071
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1374 0.1362
Onchocerca volvulus 0.0198 0.2874 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.1969 0.1958
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.002 0.0208 0.9539
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.053 0.181
Echinococcus granulosus dnaJ subfamily B 0.0406 0.5983 0.5977
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0133
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0816 0.0803
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.002 0.0208 0.0194
Onchocerca volvulus 0.002 0.0208 0.0677
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0018 0.0004
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0133
Echinococcus multilocularis protein dispatched 1 0.0047 0.0617 0.0604
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0259 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0146 0.0133
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0259 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0259 0.183
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0044 0.0106
Loa Loa (eye worm) hypothetical protein 0.0023 0.0259 0.0859
Entamoeba histolytica hypothetical protein 0.0035 0.0438 0.3171
Schistosoma mansoni hypothetical protein 0.004 0.0508 0.0494
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.1969 0.1958
Echinococcus multilocularis expressed conserved protein 0.0091 0.1264 0.1252
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0018 0.0004
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0014 0.01
Trypanosoma cruzi fatty acid desaturase, putative 0.002 0.0208 0.9539
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0171 0.6617
Leishmania major fatty-acid desaturase, putative 0.002 0.0217 0.0712
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0259 1
Echinococcus granulosus Fatty acid desaturase type 1 0.002 0.0208 0.0194
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0014 0.0546
Loa Loa (eye worm) hypothetical protein 0.0017 0.0171 0.0551
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0081 0.1123 0.111
Leishmania major fatty acid desaturase, putative 0.002 0.0208 0.0679
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0081 0.1123 0.111
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0171 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0259 0.0859
Loa Loa (eye worm) hypothetical protein 0.0081 0.1123 0.3889
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0146 0.0464
Schistosoma mansoni microtubule-associated protein tau 0.0675 1 1
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.002 0.0208 0.9539
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0259 1
Loa Loa (eye worm) apoptosis regulator protein 0.0081 0.1123 0.3889
Schistosoma mansoni apoptosis regulator bax 0.0081 0.1123 0.111
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0259 0.0859
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.002 0.0208 0.9539

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 15.9 uM Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count ChEMBL. 19945872
Efficacy (functional) = 0.87 Agonist activity at human TRPA1 expressed in HEK293 cells assessed as [45]Ca2+ influx by microbeta plate count relative to cinnamaldehyde ChEMBL. 19945872

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

1 literature reference was collected for this gene.

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