Detailed information for compound 1624667

Basic information

Technical information
  • TDR Targets ID: 1624667
  • Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-12-meth yltridecanethioamide
  • MW: 379.6 | Formula: C22H37NO2S
  • H donors: 2 H acceptors: 1 LogP: 7.2 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CNC(=S)CCCCCCCCCCC(C)C)ccc1O
  • InChi: 1S/C22H37NO2S/c1-18(2)12-10-8-6-4-5-7-9-11-13-22(26)23-17-19-14-15-20(24)21(16-19)25-3/h14-16,18,24H,4-13,17H2,1-3H3,(H,23,26)
  • InChiKey: JFDSYEICLRNAQR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-hydroxy-3-methoxy-phenyl)methyl]-12-methyl-tridecanethioamide
  • N-(4-hydroxy-3-methoxy-benzyl)-12-methyl-tridecanethioamide
  • AIDS143460
  • N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide
  • NSC664267
  • NCI60_022143
  • AIDS-143460

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
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-3 0.0209 0.092 0.092
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0209 0.092 0.092
Brugia malayi RNA binding protein 0.007 0.0105 0.0105
Schistosoma mansoni tar DNA-binding protein 0.007 0.0105 0.0102
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0209 0.092 1
Toxoplasma gondii hypothetical protein 0.0209 0.092 0.092
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0105 0.0105
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1749 1 1
Giardia lamblia Hypothetical protein 0.0209 0.092 0.5
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0209 0.092 0.092
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0209 0.092 0.092
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1749 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1749 1 1
Plasmodium vivax hypothetical protein, conserved 0.0209 0.092 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.0474 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0003 0.0003
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1749 1 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0209 0.092 0.092
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0209 0.092 0.092
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.1749 1 1
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0209 0.092 0.092
Mycobacterium tuberculosis Probable reductase 0.0119 0.0395 0.8342
Schistosoma mansoni tar DNA-binding protein 0.007 0.0105 0.0102
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0209 0.092 0.092
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1749 1 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0209 0.092 0.092
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0209 0.092 0.092
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.1749 1 1
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0209 0.092 0.092
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.1749 1 1
Loa Loa (eye worm) TAR-binding protein 0.007 0.0105 0.0105
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.0474 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0003 0.0003
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0209 0.092 0.092
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0209 0.092 1
Leishmania major hypothetical protein, conserved 0.0209 0.092 0.092
Loa Loa (eye worm) RNA binding protein 0.007 0.0105 0.0105
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0119 0.0395 0.8342
Brugia malayi TAR-binding protein 0.007 0.0105 0.0105
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0003 0.0003
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1749 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0119 0.0395 0.8342
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0209 0.092 0.092
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0003 0.0003
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1749 1 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0105 0.0102
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.1749 1 1
Giardia lamblia Hypothetical protein 0.0209 0.092 0.5
Giardia lamblia Translation elongation factor 0.0209 0.092 0.5
Schistosoma mansoni tar DNA-binding protein 0.007 0.0105 0.0102
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0209 0.092 0.092
Leishmania major eukaryotic translation initiation factor, putative 0.0209 0.092 0.092
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0209 0.092 0.092
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0119 0.0395 0.8342
Plasmodium vivax translation initiation factor 4E, putative 0.0209 0.092 1
Loa Loa (eye worm) translation initiation factor 4E 0.1749 1 1
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0209 0.092 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.0474 1
Leishmania major eukaryotic translation initiation factor-like protein 0.1749 1 1
Echinococcus granulosus tar DNA binding protein 0.007 0.0105 0.0105
Leishmania major hypothetical protein, conserved 0.0209 0.092 0.092
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1749 1 1
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0209 0.092 0.092
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.1749 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0119 0.0395 0.8342
Leishmania major eukaryotic translation initiation factor-like 0.1749 1 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0209 0.092 0.092
Mycobacterium tuberculosis Probable dehydrogenase 0.0119 0.0395 0.8342
Giardia lamblia hypothetical protein 0.0209 0.092 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0003 0.0003
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0105 0.0105
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0209 0.092 0.092
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.0474 1
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.1749 1 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.0105 0.0105
Schistosoma mansoni tar DNA-binding protein 0.007 0.0105 0.0102

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.925 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) -4.876 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) -4.617 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) -4.542 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) -4.231 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) -4.035 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 SF-539 Central Nervous System 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 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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