Detailed information for compound 524623

Basic information

Technical information
  • TDR Targets ID: 524623
  • Name: 8-methoxy-N-[(E)-(4-methoxyphenyl)methylidene amino]quinolin-4-amine
  • MW: 307.346 | Formula: C18H17N3O2
  • H donors: 1 H acceptors: 1 LogP: 3.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)/C=N/Nc1ccnc2c1cccc2OC
  • InChi: 1S/C18H17N3O2/c1-22-14-8-6-13(7-9-14)12-20-21-16-10-11-19-18-15(16)4-3-5-17(18)23-2/h3-12H,1-2H3,(H,19,21)/b20-12+
  • InChiKey: VTSCZLGBODGBRI-UDWIEESQSA-N  

Network

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Synonyms

  • 8-methoxy-N-[(E)-(4-methoxyphenyl)methyleneamino]quinolin-4-amine
  • 8-methoxy-N-[(E)-(4-methoxyphenyl)methyleneamino]-4-quinolinamine
  • (8-methoxy-4-quinolyl)-[(E)-p-anisylideneamino]amine

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
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0133394 0.0912972 0.0893512
Echinococcus multilocularis hedgehog 0.0245031 0.202159 0.200451
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0133394 0.0912972 0.0893512
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0133394 0.0912972 0.0893512
Loa Loa (eye worm) CYP4Cod1 0.00509368 0.0094133 0.00729201
Brugia malayi Hint module family protein 0.00671869 0.0255505 0.262602
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0144917 0.10274 1
Brugia malayi Hint module family protein 0.00671869 0.0255505 0.262602
Loa Loa (eye worm) cytochrome P450 family protein 0.00509368 0.0094133 0.00729201
Loa Loa (eye worm) hypothetical protein 0.0192327 0.149821 0.148001
Loa Loa (eye worm) hypothetical protein 0.0395473 0.351555 0.350167
Leishmania major cytochrome p450-like protein 0.00509368 0.0094133 0.5
Trypanosoma cruzi cytochrome P450, putative 0.00509368 0.0094133 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0133394 0.0912972 1
Trypanosoma brucei cytochrome P450, putative 0.00509368 0.0094133 0.5
Echinococcus granulosus Desert hedgehog protein 0.0245031 0.202159 0.200451
Schistosoma mansoni hypothetical protein 0.0177844 0.135439 0.133588
Loa Loa (eye worm) cytochrome P450 family protein 0.00509368 0.0094133 0.00729201
Schistosoma mansoni calcium-activated potassium channel 0.104845 1 1
Loa Loa (eye worm) hypothetical protein 0.104845 1 1
Echinococcus multilocularis small conductance calcium activated potassium 0.104845 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0144917 0.10274 1
Schistosoma mansoni hypothetical protein 0.104845 1 1
Schistosoma mansoni calcium-activated potassium channel 0.0630432 0.584882 0.583993
Loa Loa (eye worm) hypothetical protein 0.00671869 0.0255505 0.0234638
Loa Loa (eye worm) hypothetical protein 0.00671869 0.0255505 0.0234638
Loa Loa (eye worm) hypothetical protein 0.0438105 0.393892 0.392594
Trypanosoma cruzi cytochrome P450, putative 0.00509368 0.0094133 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.00509368 0.0094133 0.5
Brugia malayi Cytochrome P450 family protein 0.00509368 0.0094133 0.0816106
Brugia malayi Cytochrome P450 family protein 0.00509368 0.0094133 0.0816106
Echinococcus granulosus small conductance calcium activated potassium 0.104845 1 1
Loa Loa (eye worm) hypothetical protein 0.0114485 0.07252 0.0705338
Schistosoma mansoni voltage-gated potassium channel 0.0147069 0.104877 0.10296
Schistosoma mansoni voltage-gated potassium channel 0.0147069 0.104877 0.10296

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 326 nM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as incorporation of [3H]hypoxanthine ChEMBL. 18278859
IC50 (functional) = 326 nM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as incorporation of [3H]hypoxanthine ChEMBL. 18278859
IC50 (functional) = 715 nM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 assessed as incorporation of [3H]hypoxanthine ChEMBL. 18278859
IC50 (functional) = 715 nM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 assessed as incorporation of [3H]hypoxanthine ChEMBL. 18278859
IC50 (functional) = 769 nM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 assessed as incorporation of [3H]hypoxanthine ChEMBL. 18278859
IC50 (functional) = 769 nM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 assessed as incorporation of [3H]hypoxanthine ChEMBL. 18278859
IC50 (functional) = 903 nM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 assessed as incorporation of [3H]hypoxanthine ChEMBL. 18278859
IC50 (functional) = 903 nM Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 assessed as incorporation of [3H]hypoxanthine ChEMBL. 18278859

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18278859

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.

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