Detailed information for compound 1625782

Basic information

Technical information
  • TDR Targets ID: 1625782
  • Name: N-[(4-methylphenyl)methylideneamino]-5,7-bis( trifluoromethyl)-1,8-naphthyridin-2-amine
  • MW: 398.305 | Formula: C18H12F6N4
  • H donors: 1 H acceptors: 2 LogP: 5.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)/C=N/Nc1ccc2c(n1)nc(cc2C(F)(F)F)C(F)(F)F
  • InChi: 1S/C18H12F6N4/c1-10-2-4-11(5-3-10)9-25-28-15-7-6-12-13(17(19,20)21)8-14(18(22,23)24)26-16(12)27-15/h2-9H,1H3,(H,26,27,28)/b25-9+
  • InChiKey: DVMZDTONNOJQIA-YCPBAFNGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-methylphenyl)methyleneamino]-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
  • [5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-[(4-methylbenzylidene)amino]amine
  • Bionet1_002535
  • 4-methylbenzenecarbaldehyde N-[5,7-bis(trifluoromethyl)[1,8]naphthyridin-2-yl]hydrazone
  • MLS000540404
  • 5M-016
  • SMR000125662

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major myo-inositol/proton symporter (MIT) 0.0731 0.7159 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0003 0.0004
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0731 0.7159 0.7158
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Schistosoma mansoni glucose transport protein 0.0731 0.7159 1
Trichomonas vaginalis glucose transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Plasmodium falciparum hexose transporter 0.0731 0.7159 1
Trypanosoma brucei glucose transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis myo-inositol transporter, putative 0.0731 0.7159 1
Echinococcus granulosus Sugar transporter ERD6 protein 0.0731 0.7159 0.7158
Brugia malayi MH2 domain containing protein 0.0144 0.1229 0.1717
Trichomonas vaginalis sugar transport protein, putative 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Trypanosoma brucei glucose transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Brugia malayi major facilitator superfamily protein 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0731 0.7159 1
Echinococcus granulosus sodium channel protein 0.0074 0.0522 0.0519
Onchocerca volvulus 0.0731 0.7159 1
Trypanosoma cruzi hexose transporter, putative 0.0731 0.7159 1
Toxoplasma gondii sugar transporter ST1 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0227 0.2068 0.2888
Schistosoma mansoni sugar transporter 0.0731 0.7159 1
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0731 0.7159 1
Echinococcus granulosus solute carrier family 22 0.0731 0.7159 0.7158
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0003 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.7159 1
Schistosoma mansoni sugar transporter 0.0731 0.7159 1
Schistosoma mansoni sugar transporter 0.0731 0.7159 1
Echinococcus multilocularis synaptic vesicle 2 protein 0.0731 0.7159 1
Echinococcus multilocularis solute carrier family 22 0.0731 0.7159 1
Trypanosoma cruzi hexose transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Trypanosoma cruzi hexose transporter, putative 0.0731 0.7159 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0731 0.7159 1
Leishmania major glucose transporter, lmgt2 0.0731 0.7159 1
Leishmania major glucose transporter/membrane transporter D2, putative 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Trypanosoma brucei glucose transporter, putative 0.0731 0.7159 1
Mycobacterium ulcerans integral membrane transport protein 0.0731 0.7159 1
Echinococcus granulosus solute carrier family 22 0.0731 0.7159 0.7158
Toxoplasma gondii facilitative glucose transporter GT1 0.0731 0.7159 1
Echinococcus granulosus solute carrier family 22 0.0731 0.7159 0.7158
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0227 0.2068 0.2885
Brugia malayi Major Facilitator Superfamily protein 0.0731 0.7159 1
Leishmania major glucose transporter, lmgt1 0.0731 0.7159 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0731 0.7159 0.7158
Brugia malayi hypothetical protein 0.0182 0.1616 0.2258
Onchocerca volvulus 0.0731 0.7159 1
Echinococcus granulosus synaptic vesicle 2 protein 0.0731 0.7159 0.7158
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Schistosoma mansoni sugar transporter 0.0731 0.7159 1
Trypanosoma cruzi glucose transporter, putative 0.0731 0.7159 1
Trypanosoma brucei sugar transporter, putative 0.0731 0.7159 1
Schistosoma mansoni serine/threonine protein kinase 0.0227 0.2068 0.2885
Leishmania major hypothetical protein, conserved 0.0731 0.7159 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1229 0.1717
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.7159 1
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0731 0.7159 1
Trypanosoma brucei glucose transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Schistosoma mansoni glucose transport protein 0.0731 0.7159 1
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.7159 1
Brugia malayi Sugar transporter family protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trypanosoma brucei glucose transporter, putative 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Brugia malayi hypothetical protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Brugia malayi major facilitator superfamily protein 0.0731 0.7159 1
Plasmodium vivax sugar transporter, putative 0.0731 0.7159 1
Brugia malayi Sugar transporter family protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis glucose transporter, putative 0.0731 0.7159 1
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0074 0.0522 0.0729
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Giardia lamblia Hexose transporter 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0227 0.2068 0.2888
Toxoplasma gondii sugar transporter ST2 0.0731 0.7159 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0003 0.5
Onchocerca volvulus 0.0731 0.7159 1
Trypanosoma cruzi hexose transporter 0.0731 0.7159 1
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0731 0.7159 1
Echinococcus multilocularis sodium channel protein 0.0074 0.0522 0.0725
Onchocerca volvulus 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Toxoplasma gondii transporter, major facilitator family protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Echinococcus granulosus solute carrier family 22 0.0731 0.7159 0.7158
Brugia malayi hypothetical protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trypanosoma brucei glucose transporter, putative 0.0731 0.7159 1
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0731 0.7159 1
Toxoplasma gondii sugar transporter ST3 0.0731 0.7159 1
Brugia malayi Major Facilitator Superfamily protein 0.0731 0.7159 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Plasmodium vivax hexose transporter 0.0731 0.7159 1
Trypanosoma brucei glucose transporter 1E 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Schistosoma mansoni glucose transport protein 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1229 0.1717
Onchocerca volvulus 0.0731 0.7159 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0003 0.0004
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0731 0.7159 1
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0731 0.7159 1
Brugia malayi Major Facilitator Superfamily protein 0.0731 0.7159 1
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.7159 1
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0731 0.7159 1
Schistosoma mansoni glucose transporter 0.0731 0.7159 1
Echinococcus multilocularis solute carrier family 22 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.1616 0.2258
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) sugar transporter 0.0731 0.7159 1
Brugia malayi hypothetical protein 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.7159 1
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.7159 1
Leishmania major glucose transporter, lmgt3 0.0731 0.7159 1
Trypanosoma cruzi sugar transporter, putative 0.0731 0.7159 1
Schistosoma mansoni hypothetical protein 0.0731 0.7159 1
Onchocerca volvulus Putative transporter 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Giardia lamblia Sugar-proton symporter 0.0731 0.7159 1
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0074 0.0522 0.0519
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0003 0.0004
Onchocerca volvulus 0.0731 0.7159 1
Trypanosoma cruzi hexose transporter, putative 0.0731 0.7159 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0731 0.7159 0.7158
Trypanosoma brucei glucose transporter, putative 0.0731 0.7159 1
Brugia malayi Sugar transporter family protein 0.0731 0.7159 1
Trypanosoma brucei glucose transporter, putative 0.0731 0.7159 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0003 0.0004
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Echinococcus granulosus c-Jun N-terminal kinases 0.0227 0.2068 0.2065
Loa Loa (eye worm) sugar transporter 0.0731 0.7159 1
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0003 0.5
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0731 0.7159 0.7158
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.7159 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0003 0.0004
Onchocerca volvulus 0.0731 0.7159 1
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Echinococcus multilocularis solute carrier family 22 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Trypanosoma brucei glucose transporter 2A 0.0731 0.7159 1
Echinococcus multilocularis solute carrier family 22 0.0731 0.7159 1
Mycobacterium ulcerans sugar transporter 0.0731 0.7159 1
Loa Loa (eye worm) hypothetical protein 0.0731 0.7159 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0003 0.0004
Trichomonas vaginalis conserved hypothetical protein 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) cytochrome P450 family protein 0.007 0.0479 0.0669
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Loa Loa (eye worm) major facilitator superfamily transporter 0.0731 0.7159 1
Brugia malayi Cytochrome P450 family protein 0.007 0.0479 0.0669
Trichomonas vaginalis sugar transporter, putative 0.0731 0.7159 1
Onchocerca volvulus 0.0731 0.7159 1
Trichomonas vaginalis glucose transporter, putative 0.0731 0.7159 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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