Detailed information for compound 43763

Basic information

Technical information
  • TDR Targets ID: 43763
  • Name: N-(7-phenyl-1,6-naphthyridin-5-yl)propane-1,3 -diamine
  • MW: 278.352 | Formula: C17H18N4
  • H donors: 2 H acceptors: 2 LogP: 3.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCNc1nc(cc2c1cccn2)c1ccccc1
  • InChi: 1S/C17H18N4/c18-9-5-11-20-17-14-8-4-10-19-16(14)12-15(21-17)13-6-2-1-3-7-13/h1-4,6-8,10,12H,5,9,11,18H2,(H,20,21)
  • InChiKey: RXBLOPKSKORQAR-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-aminopropyl-(7-phenyl-1,6-naphthyridin-5-yl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens spleen tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tyrosine protein kinase shark Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma japonicum ko:K05855 spleen tyrosine kinase, putative Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma japonicum ko:K08253 non-specific protein-tyrosine kinase [EC2.7.10.2], putative Get druggable targets OG5_131855 All targets in OG5_131855
Echinococcus granulosus tyrosine protein kinase shark Get druggable targets OG5_131855 All targets in OG5_131855

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 granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0013 0.0133 0.0133
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0188 0.4393 1
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0013 0.0133 0.0133
Loa Loa (eye worm) subtilase 0.0013 0.0133 0.0154
Echinococcus multilocularis sodium:glucose cotransporter 2 0.004 0.0784 0.0784
Brugia malayi CXXC zinc finger family protein 0.0029 0.0527 0.061
Loa Loa (eye worm) hypothetical protein 0.003 0.0533 0.0617
Echinococcus multilocularis geminin 0.0177 0.4111 0.4111
Schistosoma mansoni hypothetical protein 0.0013 0.0135 0.0135
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0093 0.0108
Schistosoma mansoni furin-1 (S08 family) 0.0135 0.309 0.309
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0527 0.061
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0093 0.0093
Schistosoma mansoni inositol transporter 0.004 0.0784 0.0784
Echinococcus multilocularis 0.025 0.5891 0.5891
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0093 0.0093
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0533 0.0732
Schistosoma mansoni cpg binding protein 0.0031 0.0567 0.0567
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0188 0.4393 0.4393
Brugia malayi hypothetical protein 0.003 0.0533 0.0617
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0188 0.4393 0.4393
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0093 0.0108
Loa Loa (eye worm) hypothetical protein 0.0012 0.0093 0.0108
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0013 0.0133 0.5
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0013 0.0133 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0093 0.0108
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0093 0.0093
Echinococcus granulosus solute carrier family 5 0.004 0.0784 0.0784
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0093 0.0108
Loa Loa (eye worm) hypothetical protein 0.0363 0.8631 1
Brugia malayi celfurPC protein 0.025 0.5891 0.6826
Schistosoma mansoni tyrosine kinase 0.0264 0.6239 0.6239
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0073 0.1591 0.3423
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0093 0.0093
Brugia malayi Subtilase family protein 0.0013 0.0133 0.0154
Echinococcus granulosus Furin 1 0.0073 0.1591 0.1591
Echinococcus granulosus cpg binding protein 0.0031 0.0567 0.0567
Giardia lamblia High cysteine membrane protein Group 2 0.0115 0.2612 1
Schistosoma mansoni cpg binding protein 0.0029 0.0527 0.0527
Schistosoma mansoni high-affinity choline transporter 0.0363 0.8631 0.8631
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0073 0.1591 0.3423
Echinococcus granulosus tyrosine protein kinase shark 0.0264 0.6239 0.6239
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0093 0.0093
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0093 0.0093
Echinococcus multilocularis sodium:myo inositol cotransporter 0.004 0.0784 0.0784
Onchocerca volvulus 0.0012 0.0093 0.1189
Loa Loa (eye worm) hypothetical protein 0.0122 0.2768 0.3207
Onchocerca volvulus 0.004 0.0784 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0093 0.0108
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0135 0.0135
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0093 0.0093
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0093 0.1189
Echinococcus granulosus sodium:glucose cotransporter 2 0.004 0.0784 0.0784
Loa Loa (eye worm) hypothetical protein 0.004 0.0784 0.0908
Brugia malayi Nuclear hormone receptor-like 1 0.028 0.6615 0.7665
Brugia malayi GH02984p 0.0363 0.8631 1
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.006 0.1269 0.2667
Onchocerca volvulus 0.0029 0.0527 0.6716
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0093 0.0093
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0093 0.0108
Brugia malayi Nuclear hormone receptor-like 1 0.028 0.6615 0.7665
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0093 0.1189
Brugia malayi nuclear receptor NHR-88 0.0012 0.0093 0.0108
Echinococcus granulosus sodium:myo inositol cotransporter 0.004 0.0784 0.0784
Schistosoma mansoni sodium/solute symporter 0.004 0.0784 0.0784
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0093 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0093 0.0108
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0013 0.0133 0.5
Onchocerca volvulus 0.0013 0.0133 0.1701
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0093 0.0108
Schistosoma mansoni hypothetical protein 0.0177 0.4111 0.4111
Schistosoma mansoni tyrosine kinase 0.0258 0.6091 0.6091
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0093 0.0093
Echinococcus multilocularis membrane bound transcription factor site 1 0.0013 0.0133 0.0133
Brugia malayi Nuclear hormone receptor-like 1 0.0285 0.6749 0.7819
Schistosoma mansoni hypothetical protein 0.006 0.1269 0.1269
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0008 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0533 1
Echinococcus multilocularis high affinity choline transporter 1 0.0363 0.8631 0.8631
Echinococcus granulosus sodium:glucose cotransporter 0.004 0.0784 0.0784
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0188 0.4393 1
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0032 0.0038
Brugia malayi steroid hormone receptor 0.0012 0.0093 0.0108
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.006 0.1269 0.2667
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0073 0.1591 0.3423
Loa Loa (eye worm) hypothetical protein 0.031 0.7349 0.8515
Schistosoma mansoni hypothetical protein 0.0419 1 1
Loa Loa (eye worm) proprotein convertase 2 0.0073 0.1591 0.1844
Brugia malayi neuroendocrine convertase 1 precursor 0.0195 0.4548 0.527
Brugia malayi ecdysteroid receptor 0.0012 0.0093 0.0108
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0093 0.0093
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0093 0.0108
Schistosoma mansoni hypothetical protein 0.0177 0.4111 0.4111
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0093 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Echinococcus granulosus furin 0.031 0.7349 0.7349
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0073 0.1591 0.3423
Loa Loa (eye worm) endoprotease bli-4 0.031 0.7349 0.8515
Echinococcus multilocularis tyrosine protein kinase shark 0.0264 0.6239 0.6239
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0093 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0093 0.0108
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0093 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1329 0.1329
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0073 0.1591 0.3423
Schistosoma mansoni coup transcription factor 0.0012 0.0093 0.0093
Brugia malayi hypothetical protein 0.0019 0.0277 0.0321
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0093 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0093 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0093 0.0093
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0073 0.1591 0.1591
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0093 0.0108
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0013 0.0133 0.0133
Leishmania major hypothetical protein, conserved 0.003 0.0533 1
Loa Loa (eye worm) hypothetical protein 0.0279 0.6599 0.7646
Echinococcus multilocularis cpg binding protein 0.0031 0.0567 0.0567
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0013 0.0133 0.5
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.004 0.0784 0.0784
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0093 0.0093
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0013 0.0133 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0012 0.0093 0.0108
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0093 0.0093
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1166 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0093 0.0108
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0093 0.0108
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0093 0.0108
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0135 0.0135
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0093 0.0093
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0533 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0533 0.3866
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0013 0.0133 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0093 0.0108
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0093 0.0093
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0013 0.0133 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0533 1
Schistosoma mansoni cpg binding protein 0.0031 0.0567 0.0567
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0013 0.0133 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0533 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0093 0.0108
Echinococcus multilocularis neuroendocrine convertase 2 0.0195 0.4548 0.4548
Brugia malayi nuclear hormone receptor 0.0012 0.0093 0.0108
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0013 0.0133 0.5
Schistosoma mansoni inositol transporter 0.004 0.0784 0.0784
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0093 0.0093
Loa Loa (eye worm) hypothetical protein 0.0012 0.0093 0.0108
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0093 0.1189
Brugia malayi proprotein convertase 2 0.0195 0.4548 0.527
Mycobacterium leprae Possible secreted protease 0.0013 0.0133 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0093 0.0093
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0093 0.0093
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0032 0.0032
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0093 0.0093
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0093 0.0108
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0093 0.0108
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0093 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Echinococcus granulosus high affinity choline transporter 1 0.0363 0.8631 0.8631
Trichomonas vaginalis hypothetical protein 0.006 0.1269 0.2667
Trypanosoma brucei RNA helicase, putative 0.0238 0.559 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0533 1
Echinococcus multilocularis Furin 1 0.0073 0.1591 0.1591
Echinococcus multilocularis solute carrier family 5 0.004 0.0784 0.0784
Loa Loa (eye worm) hypothetical protein 0.0013 0.0133 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Brugia malayi Sodium:solute symporter family protein 0.004 0.0784 0.0908
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0093 0.0108
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0093 0.0093
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.006 0.1269 0.2667
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.028 0.6615 0.7665
Loa Loa (eye worm) hypothetical protein 0.0012 0.0093 0.0108
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0093 0.0093
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.004 0.0784 0.6297
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0093 0.0093
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0093 0.0093
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0093 0.0093
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0093 0.0093
Echinococcus multilocularis dnaJ subfamily B 0.0419 1 1
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0013 0.0133 0.0154
Echinococcus granulosus neuroendocrine convertase 2 0.0195 0.4548 0.4548
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.004 0.0784 0.0784
Loa Loa (eye worm) hypothetical protein 0.0012 0.0093 0.0108
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.031 0.7349 0.7349
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0032 0.0032
Schistosoma mansoni site-1 peptidase (S08 family) 0.0013 0.0133 0.0133
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0073 0.1591 0.3423
Schistosoma mansoni hypothetical protein 0.0238 0.559 0.559
Trichomonas vaginalis conserved hypothetical protein 0.006 0.1269 0.2667
Loa Loa (eye worm) hypothetical protein 0.0012 0.0093 0.0108
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.003 0.0034
Echinococcus granulosus geminin 0.0177 0.4111 0.4111
Brugia malayi endoprotease bli-4 precursor 0.031 0.7349 0.8515
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0013 0.0133 0.5
Schistosoma mansoni site-1 peptidase (S08 family) 0.0013 0.0133 0.0133
Echinococcus granulosus membrane bound transcription factor site 1 0.0013 0.0133 0.0133
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0013 0.0133 0.0154

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 410 nM Inhibition of recombinant Syk ChEMBL. 19254842
IC50 (binding) = 0.14 uM Inhibitory activity against spleen tyrosine kinase (SYK) ChEMBL. 12668002
IC50 (binding) = 0.14 uM Inhibitory activity against spleen tyrosine kinase (SYK) ChEMBL. 12668002
IC50 (binding) = 0.41 uM Inhibition of spleen tyrosine kinase (unknown origin) ChEMBL. 23917087

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

3 literature references were collected for this gene.

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