Detailed information for compound 1540118

Basic information

Technical information
  • TDR Targets ID: 1540118
  • Name: N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl) methyl]-3-phenylpropanamide
  • MW: 412.48 | Formula: C26H24N2O3
  • H donors: 2 H acceptors: 3 LogP: 5.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(c1ccc2c(c1O)nccc2)NC(=O)CCc1ccccc1
  • InChi: 1S/C26H24N2O3/c1-31-21-13-10-20(11-14-21)24(28-23(29)16-9-18-6-3-2-4-7-18)22-15-12-19-8-5-17-27-25(19)26(22)30/h2-8,10-15,17,24,30H,9,16H2,1H3,(H,28,29)
  • InChiKey: RFCCQJJHFAITGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]-3-phenyl-propanamide
  • N-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]-3-phenylpropanamide
  • N-[(8-hydroxy-7-quinolyl)-(4-methoxyphenyl)methyl]-3-phenyl-propionamide
  • N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-phenyl-propanamide
  • Oprea1_745709
  • BAS 02169192
  • N-[(8-Hydroxy-quinolin-7-yl)-(4-methoxy-phenyl)-methyl]-3-phenyl-propionamide
  • Oprea1_178638

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
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0058 0.0975 1
Trypanosoma cruzi UDP-galactopyranose mutase 0.0058 0.0975 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0233 0.0255
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0058 0.0975 0.5
Leishmania major UDP-galactopyranose mutase 0.0058 0.0975 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.1177 0.1177
Loa Loa (eye worm) hypothetical protein 0.0283 0.9134 0.9134
Onchocerca volvulus 0.0307 1 1
Mycobacterium ulcerans oxidoreductase 0.0058 0.0975 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.079 0.079
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0058 0.0975 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0058 0.0975 0.1067
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0058 0.0975 0.5
Giardia lamblia PHD finger protein 15 0.0031 0 0.5
Echinococcus multilocularis 0.0058 0.0975 0.1067
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0233 0.0255
Loa Loa (eye worm) hypothetical protein 0.0307 1 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0058 0.0975 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.2516 0.2755
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0058 0.0975 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0058 0.0975 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0058 0.0975 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0233 0.0255
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0058 0.0975 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0283 0.9134 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.2516 0.2755
Brugia malayi jmjC domain containing protein 0.0037 0.0233 0.0233
Chlamydia trachomatis protoporphyrinogen oxidase 0.0058 0.0975 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0082 0.1841 0.1841
Plasmodium falciparum protoporphyrinogen oxidase 0.0058 0.0975 1
Brugia malayi hypothetical protein 0.0058 0.0975 0.0975
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0433 0.0474
Echinococcus multilocularis protoporphyrinogen oxidase 0.0058 0.0975 0.1067
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0058 0.0975 1
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0283 0.9134 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0975 0.0975
Trypanosoma cruzi UDP-galactopyranose mutase 0.0058 0.0975 0.5
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0975 1
Schistosoma mansoni jumonji domain containing protein 0.008 0.1772 0.194
Loa Loa (eye worm) hypothetical protein 0.0082 0.1841 0.1841
Loa Loa (eye worm) hypothetical protein 0.0283 0.9134 0.9134
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0233 0.0233
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0283 0.9134 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0975 0.0975
Mycobacterium ulcerans monoamine oxidase 0.0058 0.0975 0.5
Mycobacterium ulcerans dehydrogenase 0.0058 0.0975 0.5
Schistosoma mansoni amine oxidase 0.0058 0.0975 0.1067
Brugia malayi jmjC domain containing protein 0.01 0.2516 0.2516
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0433 0.0474
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0058 0.0975 1
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0233 0.0255
Echinococcus granulosus lysine specific histone demethylase 1A 0.0058 0.0975 0.1067
Schistosoma mansoni amine oxidase 0.0058 0.0975 0.1067
Mycobacterium tuberculosis Conserved hypothetical protein 0.0058 0.0975 0.5
Plasmodium vivax hypothetical protein, conserved 0.0058 0.0975 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.3 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific antigen receptor-induced NF-kB activation in a HEK-293T cell line using a luminescence assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435012, AID489026] ChEMBL. No reference
IC50 (functional) = 2.52 uM PUBCHEM_BIOASSAY: SAR Analysis of small molecule inhibitors of T-cell specific antigen receptor-induced NF-kB activation in a Jurkat cell line using a luminescence assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435012, AID465] ChEMBL. No reference
IC50 (functional) = 22.5 uM PUBCHEM_BIOASSAY: SAR analysis of small molecule cytotoxicity in HEK293 cells for activators of NF-kappaB using a luminescence assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID435003, AID435012, AID435022, AID435025] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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