Detailed information for compound 144926

Basic information

Technical information
  • TDR Targets ID: 144926
  • Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methy lideneoctadecanamide
  • MW: 431.651 | Formula: C27H45NO3
  • H donors: 2 H acceptors: 2 LogP: 9.06 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCC(=C)CCCCCCCC(=O)NCc1ccc(c(c1)OC)O
  • InChi: 1S/C27H45NO3/c1-4-5-6-7-8-10-13-16-23(2)17-14-11-9-12-15-18-27(30)28-22-24-19-20-25(29)26(21-24)31-3/h19-21,29H,2,4-18,22H2,1,3H3,(H,28,30)
  • InChiKey: PFEOHIBNJZVNAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9-methylene-octadecanamide
  • N-[(4-hydroxy-3-methoxyphenyl)methyl]-9-methyleneoctadecanamide
  • N-[(4-hydroxy-3-methoxy-phenyl)methyl]-9-methylidene-octadecanamide
  • 9-nonyl-N-vanillyl-dec-9-enamide
  • N-(4-hydroxy-3-methoxy-benzyl)-9-nonyl-dec-9-enamide
  • 96513-72-3
  • Octadecanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-9-methylene-
  • N-((4-Hydroxy-3-methoxyphenyl)methyl)-9-methyleneoctadecanamide

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
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0112 0.0112
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0112 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0112 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.051 0.051
Giardia lamblia Copper-transporting P-type ATPase 0.0009 0 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.0572 0.0572
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0112 0.0112
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0112 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2654 0.2654
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.0572 0.0572
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0112 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.1212 0.1212
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0112 0.0112
Trichomonas vaginalis ATPase, class I, type 8B, putative 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.2085 0.2085
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0734 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.051 0.051
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2654 0.2654
Schistosoma mansoni hypothetical protein 0.0051 0.0572 0.0572
Schistosoma mansoni transcription factor LCR-F1 0.0159 0.206 0.206
Loa Loa (eye worm) hypothetical protein 0.011 0.1385 0.1385
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.051 0.051
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.0572 0.0572
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0112 0.0112
Echinococcus granulosus GPCR family 2 0.0051 0.0572 0.0572
Entamoeba histolytica hypothetical protein 0.0159 0.206 1
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2654 0.2654
Chlamydia trachomatis metal transport ATPase 0.0009 0 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0112 0.0112
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.0572 0.0572
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0051 0.0572 0.0572
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2654 0.2654
Echinococcus multilocularis GPCR, family 2 0.0051 0.0572 0.0572
Schistosoma mansoni eyes absent homolog 0.0097 0.1212 0.1212
Mycobacterium ulcerans metal cation transporter p-type ATPase, CtpV 0.0009 0 0.5
Brugia malayi TAR-binding protein 0.0202 0.2654 0.2654
Loa Loa (eye worm) hypothetical protein 0.0051 0.0572 0.0572
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.051 0.051
Schistosoma mansoni serine/threonine protein kinase 0.0734 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.016 0.2085 0.2085
Loa Loa (eye worm) pigment dispersing factor receptor c 0.016 0.2085 0.2085
Loa Loa (eye worm) RNA binding protein 0.0202 0.2654 0.2654
Schistosoma mansoni hypothetical protein 0.0171 0.2237 0.2237
Mycobacterium ulcerans cation-transporter ATPase I CtpI 0.0009 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0202 0.2654 0.2654
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.051 0.051
Brugia malayi RNA recognition motif domain containing protein 0.0202 0.2654 0.2654
Loa Loa (eye worm) hypothetical protein 0.0097 0.1212 0.1212
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0112 1
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0112 0.0112
Mycobacterium ulcerans metal cation transporter p-type ATPase a 0.0009 0 0.5
Giardia lamblia Plasma membrane calcium-transporting ATPase 2 0.0009 0 0.5
Mycobacterium leprae PROBABLE CATION-TRANSPORTER ATPASE I CTPI 0.0009 0 0.5
Echinococcus multilocularis geminin 0.0171 0.2237 0.2237
Brugia malayi isocitrate dehydrogenase 0.0017 0.0112 0.0112
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0112 1
Entamoeba histolytica hypothetical protein 0.0159 0.206 1
Treponema pallidum cation-transporting ATPase, P-type 0.0009 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.016 0.2085 0.2085
Trichomonas vaginalis cation-transporting ATPase fungi, putative 0.0009 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.051 0.051
Mycobacterium ulcerans metal cation-transporting p-type ATPase CtpC 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.0171 0.2237 0.2237
Mycobacterium ulcerans cation transporter p-type ATPase a CtpA 0.0009 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.051 0.051
Trichomonas vaginalis phospholipid-transporting ATPase, putative 0.0009 0 0.5
Entamoeba histolytica hypothetical protein 0.0159 0.206 1
Schistosoma mansoni tar DNA-binding protein 0.0202 0.2654 0.2654
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0112 1
Echinococcus granulosus geminin 0.0171 0.2237 0.2237
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0159 0.206 0.206
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0112 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0112 1
Trichomonas vaginalis ATPase, class VI, type 11C, putative 0.0009 0 0.5
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0112 0.0112
Schistosoma mansoni hypothetical protein 0.0159 0.206 0.206
Echinococcus multilocularis tar DNA binding protein 0.0202 0.2654 0.2654
Mycobacterium ulcerans metal cation-transporting p-type ATPase F, CtpF 0.0009 0 0.5
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0112 0.0112
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.0572 0.0572
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.051 0.051
Mycobacterium leprae Probable metal cation-transporting P-type ATPase C CtpC 0.0009 0 0.5
Mycobacterium ulcerans cation transporter p-type ATPase D CtpD 0.0009 0 0.5
Mycobacterium leprae PROBABLE CATION-TRANSPORTER P-TYPE ATPASE B CTPB 0.0009 0 0.5
Treponema pallidum hypothetical protein 0.0009 0 0.5
Onchocerca volvulus 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.0051 0.0572 0.0572
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.1385 0.1385
Mycobacterium ulcerans cation-transporter p-type ATPase B CtpB 0.0009 0 0.5
Mycobacterium ulcerans metal cation transporter ATPase p-type CtpE 0.0009 0 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0202 0.2654 0.2654
Brugia malayi hypothetical protein 0.0097 0.1212 0.1212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.051 0.051
Brugia malayi hypothetical protein 0.0159 0.206 0.206
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0112 1
Entamoeba histolytica hypothetical protein 0.0159 0.206 1
Brugia malayi RNA binding protein 0.0202 0.2654 0.2654
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0734 1 1
Trichomonas vaginalis cation-transporting ATPase, putative 0.0009 0 0.5
Trichomonas vaginalis plasma membrane calcium-transporting ATPase, putative 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.011 0.1385 0.1385
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0734 1 1
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0112 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0159 0.206 0.206
Schistosoma mansoni hypothetical protein 0.0051 0.0572 0.0572
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.0572 0.0572
Giardia lamblia Phospholipid-transporting ATPase IA, putative 0.0009 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0202 0.2654 0.2654
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.0572 0.0572

Activities

Activity type Activity value Assay description Source Reference
Analgesia (functional) = 67 % Percentage analgesia by rat hot plate test after oral administration at 300 mg/kg. ChEMBL. 8410971
Inhibition (functional) = 96.2 % Percentage inhibition in mouse by using Croton oil-inflamed mouse ear test (topical dosing). ChEMBL. 8410971
Inhibition (functional) = 96.2 % Percentage inhibition in mouse by using Croton oil-inflamed mouse ear test (topical dosing). ChEMBL. 8410971
Latency (functional) > 22.8 Latency time measured by mouse hot plate test after subcutaneous administration at 200 mg/kg ChEMBL. 8410971
Lethality (ADMET) = 60 % Acute toxicity after intraperitoneal dose at 200 mg/kg in mice ChEMBL. 8410971
Lethality (ADMET) = 60 % Acute toxicity after intraperitoneal dose at 200 mg/kg in mice ChEMBL. 8410971
Response (functional) = 2 Ratio of the number of responders to the number of animals tested; 2/8 ChEMBL. 8410971

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.