Detailed information for compound 604198

Basic information

Technical information
  • TDR Targets ID: 604198
  • Name: N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
  • MW: 177.2 | Formula: C10H11NO2
  • H donors: 1 H acceptors: 1 LogP: 2.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=C/NC=O
  • InChi: 1S/C10H11NO2/c1-13-10-4-2-9(3-5-10)6-7-11-8-12/h2-8H,1H3,(H,11,12)/b7-6+
  • InChiKey: SZCZSKMCTGEJKI-VOTSOKGWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-methoxyphenyl)ethenyl]formamide
  • N-[2-(4-methoxyphenyl)vinyl]formamide
  • N-[(E)-2-(4-methoxyphenyl)vinyl]formamide
  • N-[2-(4-methoxyphenyl)ethenyl]methanamide
  • N-[(E)-2-(4-methoxyphenyl)ethenyl]methanamide
  • 2501-37-3
  • 53643-53-1
  • FORMAMIDE, N-(2-(4-METHOXYPHENYL)ETHENYL)-
  • N-(2-(4-Methoxyphenyl)ethenyl)formamide
  • N-Formyl-T-P-methoxystyrilamine
  • NSC 7382
  • Tuberine
  • AIDS188430
  • Formamide, [(E)-2-(4-methoxyphenyl)ethenyl]-
  • AIDS-188430
  • NCI60_041619
  • Formamide, N-(p-methoxy-trans-styryl)-
  • NSC73832
  • TUBERIN

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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0138 0.0126
Trichomonas vaginalis esterase, putative 0.007 0.0095 0.0902
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0024 0.9003
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.0095 0.0068
Plasmodium vivax hypothetical protein, conserved 0.007 0.0095 0.0113
Mycobacterium tuberculosis Conserved protein 0.007 0.0095 0.0068
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0313 0.0588 0.0578
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0026 0.0015
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.0277 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0024 0.0032
Loa Loa (eye worm) hypothetical protein 0.007 0.0095 0.0083
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0095 0.0902
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0095 0.0128
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0024 0.0013
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0052 0.0041
Trypanosoma brucei glucosidase, putative 0.0035 0.0024 0.0017
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0024 0.0227
Loa Loa (eye worm) hypothetical protein 0.007 0.0095 0.0083
Mycobacterium tuberculosis Conserved protein 0.007 0.0095 0.0068
Toxoplasma gondii exonuclease III APE 0.0037 0.0026 0.002
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0071 0.006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0023 0.0012
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0138 0.0126
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0095 0.0083
Chlamydia trachomatis dihydrofolate reductase 0.4937 1 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0024 0.0227
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0026 0.0036
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0024 0.0013
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0449 0.0865 0.0841
Leishmania major dihydrofolate reductase-thymidylate synthase 0.3664 0.7409 1
Schistosoma mansoni alpha-glucosidase 0.0138 0.0232 0.0221
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.4937 1 1
Brugia malayi beta-lactamase family protein 0.007 0.0095 0.0083
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0095 0.0113
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.0277 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0095 0.0128
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.0095 0.0068
Onchocerca volvulus 0.007 0.0095 0.0197
Loa Loa (eye worm) hypothetical protein 0.007 0.0095 0.0083
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.0095 0.0083
Schistosoma mansoni alpha-glucosidase 0.0138 0.0232 0.0221
Mycobacterium ulcerans beta-lactamase 0.007 0.0095 0.0068
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.4937 1 1
Brugia malayi follicle stimulating hormone receptor 0.0225 0.041 0.04
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0095 0.0902
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.0095 0.0068
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.3664 0.7409 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0037 0.0026 0.5
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0024 0.0017
Loa Loa (eye worm) thymidylate synthase 0.1133 0.2257 0.2248
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.0095 0.0068
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0026 0.0015
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0071 0.006
Onchocerca volvulus 0.0092 0.014 0.0401
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0051 0.004
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0024 0.0227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0138 0.0126
Brugia malayi hypothetical protein 0.0539 0.1048 0.1038
Echinococcus multilocularis thymidylate synthase 0.1133 0.2257 0.2248
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0024 0.0227
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0095 0.0083
Loa Loa (eye worm) hypothetical protein 0.007 0.0095 0.0083
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0024 0.0013
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.1133 0.2257 0.2237
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.3664 0.7409 1
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.0095 0.0068
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0026 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0138 0.0126
Entamoeba histolytica hypothetical protein 0.0035 0.0023 0.8871
Loa Loa (eye worm) hypothetical protein 0.007 0.0095 0.0083
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0024 0.0032
Brugia malayi beta-lactamase 0.007 0.0095 0.0083
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0138 0.0126
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0024 0.9003
Brugia malayi hypothetical protein 0.0035 0.0023 0.0012
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.4937 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0095 0.0902
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.1133 0.2257 0.2183
Schistosoma mansoni dihydrofolate reductase 0.4937 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0138 0.0126
Brugia malayi thymidylate synthase 0.1133 0.2257 0.2248
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.041 0.04
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0052 0.0041
Echinococcus multilocularis dihydrofolate reductase 0.4937 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0037 0.0026 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0023 0.0012
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0071 0.006
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0071 0.0045
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0138 0.0126
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0026 0.0252
Loa Loa (eye worm) hypothetical protein 0.0049 0.0052 0.0041
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.1133 0.2257 0.2248
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0026 0.0036
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0071 0.006
Echinococcus multilocularis tumor protein p63 0.0334 0.0632 0.0621
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0026 0.0252
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0023 0.0012
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.0277 0.0266
Loa Loa (eye worm) beta-lactamase 0.007 0.0095 0.0083
Mycobacterium tuberculosis Probable hydrolase 0.007 0.0095 0.0068
Onchocerca volvulus 0.007 0.0095 0.0197
Treponema pallidum exodeoxyribonuclease (exoA) 0.0037 0.0026 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0026 1
Schistosoma mansoni ap endonuclease 0.0037 0.0026 0.0015
Loa Loa (eye worm) hypothetical protein 0.0034 0.002 0.0009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0052 0.0041
Entamoeba histolytica hypothetical protein 0.0035 0.0023 0.8871
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0071 0.0081
Echinococcus multilocularis snurportin 1 0.0313 0.0588 0.0578
Loa Loa (eye worm) hypothetical protein 0.0049 0.0051 0.004
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.0095 0.0068
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0539 0.1048 0.1415
Onchocerca volvulus 0.007 0.0095 0.0197
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.0095 0.0083
Schistosoma mansoni alpha glucosidase 0.0035 0.0024 0.0013
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.0095 0.0068
Schistosoma mansoni hypothetical protein 0.0034 0.002 0.0009
Mycobacterium tuberculosis Conserved protein 0.007 0.0095 0.0068
Schistosoma mansoni ap endonuclease 0.0037 0.0026 0.0015
Brugia malayi Dihydrofolate reductase 0.4937 1 1
Brugia malayi beta-lactamase family protein 0.007 0.0095 0.0083
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0071 0.0045
Brugia malayi RNA, U transporter 1 0.0083 0.0121 0.011
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0024 0.0227
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1591 0.319 0.3183
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.002 0.0009
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.0277 0.0266
Trichomonas vaginalis conserved hypothetical protein 0.0539 0.1048 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0026 0.0015
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0024 0.0013
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0026 0.002
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0026 0.002
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0026 0.002
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0095 0.0902
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.0095 0.0068
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0095 0.0902
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.0095 0.0083
Loa Loa (eye worm) hypothetical protein 0.007 0.0095 0.0083
Mycobacterium ulcerans thymidylate synthase 0.1133 0.2257 0.2237
Echinococcus granulosus dihydrofolate reductase 0.4937 1 1
Schistosoma mansoni hypothetical protein 0.0313 0.0588 0.0578
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.0277 0.0266
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.3664 0.7409 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0024 0.0227
Echinococcus granulosus snurportin 1 0.0313 0.0588 0.0578
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0026 0.0036
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0071 0.0045
Echinococcus granulosus tumor protein p63 0.0334 0.0632 0.0621
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0024 0.0227
Entamoeba histolytica hypothetical protein 0.0035 0.0023 0.8871
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0024 0.0032
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.0095 0.0083
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0071 0.0096
Toxoplasma gondii ABC1 family protein 0.007 0.0095 0.0113
Leishmania major hypothetical protein, conserved 0.007 0.0095 0.0128
Loa Loa (eye worm) dihydrofolate reductase 0.4937 1 1
Mycobacterium ulcerans hypothetical protein 0.007 0.0095 0.0068
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0024 0.0227
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0138 0.0126
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0138 0.0126
Entamoeba histolytica hypothetical protein 0.0035 0.0023 0.8871
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.3664 0.7409 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0024 0.0227
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0071 0.0045
Mycobacterium ulcerans lipase LipD 0.007 0.0095 0.0068
Mycobacterium tuberculosis Hypothetical protein 0.0539 0.1048 0.1025
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.3664 0.7409 1
Schistosoma mansoni hypothetical protein 0.0035 0.0023 0.0012
Onchocerca volvulus 0.1133 0.2257 1
Echinococcus granulosus thymidylate synthase 0.1133 0.2257 0.2248

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 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 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 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 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 SF-539 Central Nervous System 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

1 literature reference was collected for this gene.

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