Detailed information for compound 1621831

Basic information

Technical information
  • TDR Targets ID: 1621831
  • Name: 5-[(4-methoxyphenyl)methylidene]-3-(piperidin -1-ylmethyl)-2-sulfanylideneimidazolidin-4-on e
  • MW: 331.433 | Formula: C17H21N3O2S
  • H donors: 1 H acceptors: 1 LogP: 2.81 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=C/1\NC(=S)N(C1=O)CN1CCCCC1
  • InChi: 1S/C17H21N3O2S/c1-22-14-7-5-13(6-8-14)11-15-16(21)20(17(23)18-15)12-19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,12H2,1H3,(H,18,23)/b15-11-
  • InChiKey: PQQMTSHCNWPQES-PTNGSMBKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylideneimidazolidin-4-one
  • (5Z)-5-[(4-methoxyphenyl)methylene]-3-(1-piperidylmethyl)-2-thioxo-imidazolidin-4-one
  • 5-[(4-methoxyphenyl)methylene]-3-(1-piperidylmethyl)-2-thioxo-imidazolidin-4-one
  • (5Z)-5-[(4-methoxyphenyl)methylene]-3-(1-piperidylmethyl)-2-thioxo-4-imidazolidinone
  • 5-[(4-methoxyphenyl)methylene]-3-(1-piperidylmethyl)-2-thioxo-4-imidazolidinone
  • (5Z)-5-(4-methoxybenzylidene)-3-(piperidinomethyl)-2-thioxo-imidazolidin-4-one
  • 5-(4-methoxybenzylidene)-3-(piperidinomethyl)-2-thioxo-imidazolidin-4-one
  • (5Z)-5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-imidazolidin-4-one
  • 5-[(4-methoxyphenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-imidazolidin-4-one
  • (5Z)-5-(4-Methoxybenzylidene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone
  • 5-(4-Methoxybenzylidene)-3-(piperidinomethyl)-2-thiohydantoin
  • NCI60_032042
  • 5-(4-Methoxybenzylidene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone
  • AIDS-150796
  • AIDS150796
  • NSC688936

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
Brugia malayi Cyclin, N-terminal domain containing protein 0.0085 0.0061 0.0072
Loa Loa (eye worm) hypothetical protein 0.0085 0.0061 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Echinococcus multilocularis Diacylglycerol kinase theta 0.0324 0.0886 0.0886
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0324 0.0886 0.1083
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0324 0.0886 0.1083
Entamoeba histolytica protein kinase, putative 0.0078 0.0036 0.0268
Trypanosoma cruzi CYC2-like cyclin, putative 0.0085 0.0061 1
Echinococcus granulosus protein kinase c epsilon type 0.085 0.2703 0.2703
Echinococcus granulosus unc 13 munc13 0.0391 0.1119 0.1119
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0334 0.0922 0.1091
Echinococcus multilocularis RNA directed DNA polymerase 0.2113 0.7065 0.7065
Brugia malayi RhoGAP domain containing protein 0.0324 0.0886 0.1049
Brugia malayi Protein kinase domain containing protein 0.0459 0.1352 0.1599
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0459 0.1352 0.1352
Trichomonas vaginalis cyclins, putative 0.0085 0.0061 0.045
Schistosoma mansoni serine/threonine protein kinase 0.0459 0.1352 0.1352
Brugia malayi p70 ribosomal S6 kinase beta 0.0459 0.1352 0.1599
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Giardia lamblia G2/mitotic-specific cyclin B 0.0085 0.0061 0.5
Brugia malayi serine/threonine-protein kinase PAK 7 0.0372 0.1053 0.1245
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0459 0.1352 0.1352
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.085 0.2703 0.3303
Loa Loa (eye worm) RasGEF domain-containing protein 0.0324 0.0886 0.1083
Onchocerca volvulus 0.0324 0.0886 0.7923
Brugia malayi Hr1 repeat family protein 0.0459 0.1352 0.1599
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0391 0.1119 0.1119
Trichomonas vaginalis cyclins, putative 0.0085 0.0061 0.045
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0391 0.1119 0.1119
Brugia malayi Protein kinase c protein 2 0.2515 0.8452 1
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0324 0.0886 0.0886
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Trichomonas vaginalis cyclin B, putative 0.0085 0.0061 0.045
Schistosoma mansoni atypical protein kinase C 0.0783 0.247 0.247
Entamoeba histolytica protein kinase, putative 0.0078 0.0036 0.0268
Brugia malayi Pleckstrin Homology Domain 0.0324 0.0886 0.1049
Echinococcus multilocularis serine:threonine protein kinase N2 0.0459 0.1352 0.1352
Schistosoma mansoni serine/threonine protein kinase 0.0334 0.0922 0.0922
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0459 0.1352 0.1352
Brugia malayi C1-like domain containing protein 0.0334 0.0922 0.1091
Echinococcus granulosus NDR protein kinase 0.0459 0.1352 0.1352
Schistosoma mansoni hypothetical protein 0.0324 0.0886 0.0886
Trypanosoma cruzi cyclin, putative 0.0085 0.0061 1
Schistosoma mansoni vav2 0.0324 0.0886 0.0886
Brugia malayi Variant SH3 domain containing protein 0.0324 0.0886 0.1049
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.2191 0.7334 0.8961
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0459 0.1352 0.1352
Trichomonas vaginalis cyclin B, putative 0.0085 0.0061 0.045
Brugia malayi protein kinase C II. 0.085 0.2703 0.3198
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Schistosoma mansoni diacylglycerol kinase theta 0.0324 0.0886 0.0886
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Loa Loa (eye worm) raf kinase 0.0324 0.0886 0.1083
Schistosoma mansoni serine/threonine protein kinase 0.0334 0.0922 0.0922
Brugia malayi RhoGEF domain containing protein 0.0324 0.0886 0.1049
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0324 0.0886 0.0886
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0448 0.1316 0.9732
Echinococcus multilocularis serine:threonine protein kinase N2 0.0459 0.1352 0.1352
Loa Loa (eye worm) hypothetical protein 0.0391 0.1119 0.1367
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Echinococcus granulosus raf serine:threonine protein kinase 0.0324 0.0886 0.0886
Trypanosoma cruzi cyclin, putative 0.0085 0.0061 1
Brugia malayi RhoGAP domain containing protein 0.0324 0.0886 0.1049
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Schistosoma mansoni protein kinase C 0.0391 0.1119 0.1119
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0334 0.0922 0.0922
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0459 0.1352 0.1652
Echinococcus granulosus protein kinase C gamma type 0.2639 0.8881 0.8881
Schistosoma mansoni diacylglycerol kinase theta 0.0324 0.0886 0.0886
Echinococcus granulosus Rac GTPase activating protein 1 0.0324 0.0886 0.0886
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0459 0.1352 0.1652
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0459 0.1352 0.1352
Echinococcus multilocularis protein kinase c eta type 0.0324 0.0886 0.0886
Entamoeba histolytica hypothetical protein 0.0324 0.0886 0.6556
Echinococcus granulosus N chimaerin 0.0324 0.0886 0.0886
Brugia malayi Ras association domain family 1 isoform A 0.0324 0.0886 0.1049
Entamoeba histolytica diacylglycerol kinase, putative 0.0324 0.0886 0.6556
Echinococcus granulosus myotubularin protein 13 0.0324 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Trichomonas vaginalis cyclin A, putative 0.0085 0.0061 0.045
Entamoeba histolytica diacylglycerol kinase, putative 0.0324 0.0886 0.6556
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Loa Loa (eye worm) hypothetical protein 0.0459 0.1352 0.1652
Echinococcus multilocularis protein kinase c iota type 0.0783 0.247 0.247
Trichomonas vaginalis cyclin B, putative 0.0085 0.0061 0.045
Echinococcus multilocularis N chimaerin 0.0324 0.0886 0.0886
Brugia malayi Protein kinase domain containing protein 0.0334 0.0922 0.1091
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0459 0.1352 0.1652
Echinococcus multilocularis cyclin B 0.0085 0.0061 0.0061
Echinococcus multilocularis unc 13 (munc13) 0.0391 0.1119 0.1119
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0085 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Echinococcus granulosus protein kinase c iota type 0.0783 0.247 0.247
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0324 0.0886 0.0886
Trypanosoma brucei rac serine-threonine kinase, putative 0.0459 0.1352 1
Echinococcus multilocularis serine threonine protein kinase 0.2639 0.8881 0.8881
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0324 0.0886 0.0886
Schistosoma mansoni serine/threonine protein kinase 0.0459 0.1352 0.1352
Trypanosoma cruzi cyclin 6, putative 0.0085 0.0061 1
Entamoeba histolytica cyclin, putative 0.0085 0.0061 0.045
Schistosoma mansoni serine/threonine protein kinase 0.0459 0.1352 0.1352
Schistosoma mansoni serine/threonine protein kinase 0.0459 0.1352 0.1352
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.2113 0.7065 0.7065
Loa Loa (eye worm) AGC/AKT protein kinase 0.0459 0.1352 0.1652
Echinococcus multilocularis serine:threonine protein kinase 38 0.0459 0.1352 0.1352
Schistosoma mansoni unc-13 (munc13) 0.0391 0.1119 0.1119
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0372 0.1053 0.1286
Echinococcus granulosus RNA directed DNA polymerase 0.2113 0.7065 0.7065
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0459 0.1352 0.1352
Brugia malayi diacylglycerol kinase 0.0324 0.0886 0.1049
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0334 0.0922 0.0922
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Echinococcus multilocularis protein kinase c epsilon type 0.085 0.2703 0.2703
Toxoplasma gondii diacylglycerol kinase, putative 0.0324 0.0886 0.6556
Trichomonas vaginalis cyclin B, putative 0.0085 0.0061 0.045
Trichomonas vaginalis cyclins, putative 0.0085 0.0061 0.045
Schistosoma mansoni serine/threonine kinase 0.0459 0.1352 0.1352
Entamoeba histolytica protein kinase, putative 0.0459 0.1352 1
Echinococcus granulosus protein kinase c eta type 0.0324 0.0886 0.0886
Trypanosoma brucei mitotic cyclin 6 0.0085 0.0061 0.045
Echinococcus granulosus serine:threonine protein kinase N2 0.0459 0.1352 0.1352
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0459 0.1352 0.1652
Onchocerca volvulus 0.0085 0.0061 0.0544
Onchocerca volvulus 0.0324 0.0886 0.7923
Loa Loa (eye worm) hypothetical protein 0.2113 0.7065 0.8633
Schistosoma mansoni protein kinase C mu 0.0324 0.0886 0.0886
Trichomonas vaginalis cyclins, putative 0.0085 0.0061 0.045
Loa Loa (eye worm) hypothetical protein 0.0085 0.0061 0.0074
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Toxoplasma gondii AGC kinase 0.0459 0.1352 1
Schistosoma mansoni serine/threonine protein kinase 0.085 0.2703 0.2703
Loa Loa (eye worm) AGC/PKN protein kinase 0.0459 0.1352 0.1652
Loa Loa (eye worm) hypothetical protein 0.2437 0.8184 1
Echinococcus multilocularis myotubularin protein 13 0.0324 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0341 0.0946 0.0946
Schistosoma mansoni protein kinase C mu 0.0334 0.0922 0.0922
Entamoeba histolytica protein kinase, putative 0.0459 0.1352 1
Onchocerca volvulus 0.0391 0.1119 1
Echinococcus multilocularis Rac GTPase activating protein 1 0.0324 0.0886 0.0886
Entamoeba histolytica protein kinase, putative 0.0459 0.1352 1
Schistosoma mansoni unc-13 (munc13) 0.0391 0.1119 0.1119
Schistosoma mansoni cyclin B 0.0085 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Brugia malayi protein kinase C3,putative 0.0334 0.0922 0.1091
Entamoeba histolytica protein kinase, putative 0.0459 0.1352 1
Brugia malayi Protein kinase domain containing protein 0.0459 0.1352 0.1599
Trichomonas vaginalis AGC family protein kinase 0.0459 0.1352 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0085 0.0061 0.0072
Schistosoma mansoni serine/threonine protein kinase 0.0324 0.0886 0.0886
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0334 0.0922 0.1127
Echinococcus multilocularis raf serine:threonine protein kinase 0.0324 0.0886 0.0886
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0459 0.1352 0.1652
Echinococcus granulosus cyclin B 0.0085 0.0061 0.0061
Echinococcus granulosus Diacylglycerol kinase theta 0.0324 0.0886 0.0886
Brugia malayi Protein kinase domain containing protein 0.0459 0.1352 0.1599
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0334 0.0922 0.1127
Schistosoma mansoni rac gtpase activating protein 0.0324 0.0886 0.0886
Loa Loa (eye worm) hypothetical protein 0.0324 0.0886 0.1083
Leishmania major cyclin 0.0085 0.0061 1
Brugia malayi diacylglycerol kinase 0.0324 0.0886 0.1049
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0341 0.0946 0.0946
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0324 0.0886 0.1083

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.519 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) -4.47 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) -4.443 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) -4.431 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) -4.154 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) -4.149 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) -4.119 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) -4.113 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 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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