Detailed information for compound 317066

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.376 | Formula: C18H20N4O3
  • H donors: 2 H acceptors: 4 LogP: 3.49 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1ccc(cc1O)Nc1ncnn2c1c(C)c(c2)C(=O)OC
  • InChi: 1S/C18H20N4O3/c1-4-5-12-6-7-13(8-15(12)23)21-17-16-11(2)14(18(24)25-3)9-22(16)20-10-19-17/h6-10,23H,4-5H2,1-3H3,(H,19,20,21)
  • InChiKey: ZCTXKJKSADHBTO-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi Immunoglobulin I-set domain containing protein 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
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
Echinococcus multilocularis acetylcholinesterase 0.0038 0.1153 0.1153
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0015 0.0161 0.0161
Brugia malayi Carboxylesterase family protein 0.0038 0.1153 0.1535
Loa Loa (eye worm) hypothetical protein 0.0081 0.3075 0.3075
Brugia malayi Carboxylesterase family protein 0.0038 0.1153 0.1535
Schistosoma mansoni calcium-activated potassium channel 0.0154 0.6278 0.6278
Loa Loa (eye worm) hypothetical protein 0.0239 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0183 0.7516 0.7516
Schistosoma mansoni hypothetical protein 0.0239 1 1
Schistosoma mansoni calcium-activated potassium channel 0.0239 1 1
Echinococcus granulosus carboxylesterase 5A 0.0038 0.1153 0.1153
Echinococcus granulosus neuroglian 0.0014 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0018 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0038 0.1153 0.1153
Echinococcus granulosus acetylcholinesterase 0.0038 0.1153 0.1153
Loa Loa (eye worm) hypothetical protein 0.0015 0.0161 0.0161
Echinococcus multilocularis small conductance calcium activated potassium 0.0239 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.2709 0.2709
Echinococcus granulosus acetylcholinesterase 0.0038 0.1153 0.1153
Loa Loa (eye worm) acetylcholinesterase 1 0.0038 0.1153 0.1153
Brugia malayi Immunoglobulin I-set domain containing protein 0.0183 0.7516 1
Echinococcus multilocularis acetylcholinesterase 0.0038 0.1153 0.1153
Echinococcus granulosus roundabout 2 0.0018 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0077 0.2882 0.2882
Schistosoma mansoni cell adhesion molecule 0.0015 0.0161 0.0161
Loa Loa (eye worm) carboxylesterase 0.0038 0.1153 0.1153
Schistosoma mansoni nephrin 0.0014 0.0126 0.0126
Echinococcus granulosus twitchin 0.0014 0.0126 0.0126
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0038 0.1153 0.1153
Loa Loa (eye worm) hypothetical protein 0.0038 0.1153 0.1153
Echinococcus multilocularis roundabout 2 0.0018 0.0287 0.0287
Echinococcus multilocularis carboxylesterase 5A 0.0038 0.1153 0.1153
Echinococcus multilocularis neuroglian 0.0014 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0018 0.0287 0.0287
Onchocerca volvulus Tyrosine kinase homolog 0.0171 0.6989 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 190 nM Inhibitory concentration against Vascular endothelial growth factor receptor 2 ChEMBL. 15713401
IC50 (binding) = 190 nM Inhibitory concentration against Vascular endothelial growth factor receptor 2 ChEMBL. 15713401

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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