Detailed information for compound 1587748

Basic information

Technical information
  • TDR Targets ID: 1587748
  • Name: N,N-dipentyl-4-(2-quinolin-4-ylethenyl)anilin e
  • MW: 386.572 | Formula: C27H34N2
  • H donors: 0 H acceptors: 1 LogP: 8.17 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCN(c1ccc(cc1)/C=C/c1ccnc2c1cccc2)CCCCC
  • InChi: 1S/C27H34N2/c1-3-5-9-21-29(22-10-6-4-2)25-17-14-23(15-18-25)13-16-24-19-20-28-27-12-8-7-11-26(24)27/h7-8,11-20H,3-6,9-10,21-22H2,1-2H3/b16-13+
  • InChiKey: ITAZBTTYYXCYLS-DTQAZKPQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dipentyl-4-[(E)-2-quinolin-4-ylethenyl]aniline
  • N,N-dipentyl-4-[(E)-2-(4-quinolyl)vinyl]aniline
  • N,N-dipentyl-4-[2-(4-quinolyl)vinyl]aniline
  • diamyl-[4-[(E)-2-(4-quinolyl)vinyl]phenyl]amine
  • diamyl-[4-[2-(4-quinolyl)vinyl]phenyl]amine
  • 7498-21-7
  • NSC 407364
  • AIDS-160248
  • AIDS160248
  • N,N-Dipentyl-4-(2-(4-quinolinyl)vinyl)aniline
  • N,N-Dipentyl-N-(4-(2-(4-quinolinyl)vinyl)phenyl)amine
  • NSC407364

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible oxidoreductase 0.0143 0.1186 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0143 0.1186 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0702 0.9154 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0702 0.9154 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.1755 0.1755
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1209 0.1209
Leishmania major UDP-galactopyranose mutase 0.0143 0.1186 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0143 0.1186 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.1186 0.1186
Loa Loa (eye worm) hypothetical protein 0.0702 0.9154 0.9154
Toxoplasma gondii histone lysine-specific demethylase 0.0143 0.1186 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0143 0.1186 0.5
Brugia malayi hypothetical protein 0.0143 0.1186 0.1186
Echinococcus multilocularis 0.0143 0.1186 0.1296
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0143 0.1186 1
Entamoeba histolytica SWIRM domain protein 0.0059 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.2032 0.2032
Chlamydia trachomatis protoporphyrinogen oxidase 0.0143 0.1186 0.5
Mycobacterium ulcerans dehydrogenase 0.0143 0.1186 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0143 0.1186 0.1296
Mycobacterium ulcerans monoamine oxidase 0.0143 0.1186 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0202 0.2032 0.2032
Mycobacterium tuberculosis Conserved hypothetical protein 0.0143 0.1186 0.5
Onchocerca volvulus 0.0761 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0059 0 0.5
Mycobacterium ulcerans oxidoreductase 0.0143 0.1186 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0143 0.1186 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0143 0.1186 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0143 0.1186 0.5
Entamoeba histolytica SWIRM domain protein 0.0059 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0761 1 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0143 0.1186 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.1209 0.1209
Echinococcus granulosus lysine specific histone demethylase 1A 0.0702 0.9154 1
Plasmodium vivax hypothetical protein, conserved 0.0143 0.1186 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0143 0.1186 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0143 0.1186 0.5
Plasmodium vivax hypothetical protein, conserved 0.0143 0.1186 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.1186 0.1186
Echinococcus multilocularis protoporphyrinogen oxidase 0.0143 0.1186 0.1296
Giardia lamblia hypothetical protein 0.0059 0 0.5
Schistosoma mansoni amine oxidase 0.0143 0.1186 0.1296
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0143 0.1186 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1209 0.1209
Trypanosoma cruzi UDP-galactopyranose mutase 0.0143 0.1186 0.5
Entamoeba histolytica hypothetical protein 0.0059 0 0.5
Brugia malayi hypothetical protein 0.0182 0.1755 0.1755
Loa Loa (eye worm) hypothetical protein 0.0702 0.9154 0.9154
Schistosoma mansoni amine oxidase 0.0143 0.1186 0.1296
Echinococcus granulosus lysine specific histone demethylase 1A 0.0143 0.1186 0.1296

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (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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