Detailed information for compound 330361

Basic information

Technical information
  • TDR Targets ID: 330361
  • Name: 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]pyrid in-3-yl]amino]propan-1-ol
  • MW: 351.402 | Formula: C19H21N5O2
  • H donors: 3 H acceptors: 4 LogP: 2.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCNc1cncc(c1)c1cncc(n1)Nc1cccc(c1)OC
  • InChi: 1S/C19H21N5O2/c1-26-17-5-2-4-15(9-17)23-19-13-21-12-18(24-19)14-8-16(11-20-10-14)22-6-3-7-25/h2,4-5,8-13,22,25H,3,6-7H2,1H3,(H,23,24)
  • InChiKey: TYOTYOPLSRQPGK-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridyl]amino]propan-1-ol
  • 3-[[5-[6-(3-methoxyanilino)-2-pyrazinyl]-3-pyridyl]amino]-1-propanol
  • 3-[[5-[6-[(3-methoxyphenyl)amino]pyrazin-2-yl]pyridin-3-yl]amino]propan-1-ol
  • 3-[[5-[6-(m-anisidino)pyrazin-2-yl]-3-pyridyl]amino]propan-1-ol
  • 3-[[5-[6-[(3-methoxyphenyl)amino]pyrazin-2-yl]-3-pyridyl]amino]propan-1-ol
  • 3-[[5-[6-[(3-methoxyphenyl)amino]-2-pyrazinyl]-3-pyridyl]amino]propan-1-ol
  • Pyrazine-Pyridine Biheteroaryl 15

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens kinase insert domain receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Onchocerca volvulus Tyrosine kinase homolog Get druggable targets OG5_130320 All targets in OG5_130320
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_130320 All targets in OG5_130320
Loa Loa (eye worm) TK/KIN16 protein kinase Get druggable targets OG5_130320 All targets in OG5_130320

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) hypothetical protein 0.0288 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0262 0.0133
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Entamoeba histolytica aldose reductase, putative 0.0288 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.6249 0.6199
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Leishmania major prostaglandin f synthase, putative 0.0288 1 1
Schistosoma mansoni cell adhesion molecule 0.0015 0.0262 0.0262
Echinococcus granulosus aldo keto reductase 0.0288 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Onchocerca volvulus 0.0288 1 1
Schistosoma mansoni potassium channel beta 0.0083 0.2705 0.2705
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 1 1
Onchocerca volvulus 0.0288 1 1
Schistosoma mansoni pol-related 0.0288 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Echinococcus multilocularis aldo keto reductase 0.0288 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0083 0.2705 0.2608
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0288 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Giardia lamblia Aldose reductase 0.0288 1 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Schistosoma mansoni aldo-keto reductase 0.0288 1 1
Mycobacterium ulcerans oxidoreductase 0.0288 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0083 0.2705 0.5
Echinococcus granulosus neuroglian 0.0014 0.0234 0.0104
Onchocerca volvulus 0.0167 0.5681 0.4079
Echinococcus granulosus twitchin 0.0014 0.0234 0.0104
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.582 0.427
Echinococcus granulosus voltage gated potassium channel subunit 0.0083 0.2705 0.2608
Loa Loa (eye worm) hypothetical protein 0.0018 0.0365 0.0236
Onchocerca volvulus 0.0288 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0288 1 1
Echinococcus granulosus aldo keto reductase 0.0288 1 1
Onchocerca volvulus 0.0288 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Schistosoma mansoni nephrin 0.0014 0.0234 0.0234
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Loa Loa (eye worm) oxidoreductase 0.0288 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0288 1 1
Echinococcus granulosus aldehyde reductase 0.0204 0.7025 0.6986
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0083 0.2705 0.2608
Trichomonas vaginalis aldo/keto reductase, putative 0.0288 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0288 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Trypanosoma brucei prostaglandin f synthase 0.0288 1 1
Brugia malayi NADH-dependent xylose reductase 0.0083 0.2705 0.2608
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Leishmania major aldo-keto reductase-like protein 0.0288 1 1
Echinococcus granulosus roundabout 2 0.0018 0.0365 0.0236
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0011 0.0131 0.0131
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0204 0.7025 0.5922
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Onchocerca volvulus 0.0288 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Schistosoma mansoni aldo-keto reductase 0.0288 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Schistosoma mansoni vesicular amine transporter 0.0011 0.0131 0.0131
Loa Loa (eye worm) oxidoreductase 0.0288 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0011 0.0131 0.0131
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0288 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0083 0.2705 0.5
Echinococcus multilocularis aldo keto reductase 0.0288 1 1
Toxoplasma gondii aldose reductase, putative 0.0288 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Entamoeba histolytica aldose reductase, putative 0.0288 1 1
Entamoeba histolytica aldose reductase, putative 0.0288 1 1
Giardia lamblia Aldose reductase 0.0288 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0288 1 1
Echinococcus multilocularis aldo keto reductase 0.0288 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0288 1 1
Echinococcus multilocularis roundabout 2 0.0018 0.0365 0.0236
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 1 1
Onchocerca volvulus 0.0288 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0083 0.2705 0.2608
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 1 1
Loa Loa (eye worm) oxidoreductase 0.0288 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0288 1 1
Echinococcus granulosus aldo keto reductase 0.0288 1 1
Echinococcus multilocularis aldehyde reductase 0.0204 0.7025 0.6986
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0262 0.0133
Loa Loa (eye worm) hypothetical protein 0.0018 0.0365 0.0236
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Echinococcus multilocularis neuroglian 0.0014 0.0234 0.0104
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.6249 0.6199
Trichomonas vaginalis aldo-keto reductase, putative 0.0288 1 1
Loa Loa (eye worm) oxidoreductase 0.0288 1 1
Trypanosoma cruzi aldo-keto reductase 0.0288 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0083 0.2705 0.5
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0288 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0288 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0083 0.2705 0.2608
Echinococcus multilocularis aldo keto reductase 0.0288 1 1
Plasmodium vivax aldehyde reductase, putative 0.0083 0.2705 0.5
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 1 1
Echinococcus granulosus hypothetical protein 0.0288 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0288 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.13 Inhibitory concentration (experimental) against vascular endothelial growth factor receptor 2 ChEMBL. 16033269
IC50 (binding) = 0.74 uM Inhibition of vascular endothelial growth factor receptor 2 ChEMBL. 16033269
IC50 (binding) = 0.74 uM Inhibition of vascular endothelial growth factor receptor 2 ChEMBL. 16033269
IC50 (binding) > 10 uM Inhibition of cyclin-dependent kinase 1 activity ChEMBL. 16033269
Log IC50 (binding) = 6.13 uM Inhibitory concentration (experimental) against vascular endothelial growth factor receptor 2 ChEMBL. 16033269
Log IC50 (binding) = 6.36 uM Inhibitory concentration (calculated) against vascular endothelial growth factor receptor 2 ChEMBL. 16033269

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

1 literature reference was collected for this gene.

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