Detailed information for compound 1823285

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 432.515 | Formula: C25H28N4O3
  • H donors: 0 H acceptors: 2 LogP: 4.11 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOc1ccn2c(c1)ncc2c1ccc2c(n1)c(ccc2)OC1CCN(CC1)C
  • InChi: 1S/C25H28N4O3/c1-28-11-8-19(9-12-28)32-23-5-3-4-18-6-7-21(27-25(18)23)22-17-26-24-16-20(10-13-29(22)24)31-15-14-30-2/h3-7,10,13,16-17,19H,8-9,11-12,14-15H2,1-2H3
  • InChiKey: XZMAHDRRCQRMHC-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
Mus musculus platelet derived growth factor receptor, beta polypeptide Starlite/ChEMBL References
Homo sapiens colony stimulating factor 1 receptor Starlite/ChEMBL References
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
Loa Loa (eye worm) TK/KIN16 protein kinase 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
Onchocerca volvulus Get druggable targets OG5_130320 All targets in OG5_130320
Echinococcus granulosus macrophage colony stimulating factor 1 receptor Get druggable targets OG5_132967 All targets in OG5_132967

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
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.2036 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0164 0.0104
Echinococcus granulosus twitchin 0.0061 0.0192 0.0192
Giardia lamblia Kinase, CMGC MAPK 0.2036 1 0.5
Plasmodium falciparum protein kinase, putative 0.0022 0 0.5
Schistosoma mansoni cell adhesion molecule 0.0052 0.015 0.015
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.2036 1 1
Schistosoma mansoni nephrin 0.0042 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0026
Echinococcus multilocularis mitogen activated protein kinase 0.2036 1 1
Echinococcus multilocularis neuroglian 0.0042 0.01 0.01
Echinococcus multilocularis Immunoglobulin 0.0039 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0052 0.015 0.009
Echinococcus multilocularis Immunoglobulin 0.0039 0.0086 0.0086
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.2036 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.2036 1 1
Trichomonas vaginalis CMGC family protein kinase 0.2036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0055 0.0164 0.0104
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0026
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0026
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.2036 1 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0039 0.0086 0.0086
Schistosoma mansoni serine/threonine protein kinase 0.2036 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0222 0.0995 0.0917
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0026
Echinococcus granulosus defective proboscis extension response 0.0039 0.0086 0.0086
Trichomonas vaginalis CMGC family protein kinase 0.2036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0026
Echinococcus multilocularis roundabout 2 0.0055 0.0164 0.0164
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0222 0.0995 0.094
Loa Loa (eye worm) hypothetical protein 0.0039 0.0086 0.0026
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0039 0.0086 0.0086
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.0504 0.2391 0.2391
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0039 0.0086 0.0086
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.2036 1 1
Echinococcus granulosus neuroglian 0.0042 0.01 0.01
Onchocerca volvulus Tyrosine kinase homolog 0.0173 0.075 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0052 0.015 0.015
Schistosoma mansoni vesicular amine transporter 0.0039 0.0086 0.0086
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.2036 1 1
Echinococcus granulosus mitogen activated protein kinase 0.2036 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.2036 1 1
Trichomonas vaginalis CMGC family protein kinase 0.2036 1 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.2036 1 1
Echinococcus granulosus roundabout 2 0.0055 0.0164 0.0164
Echinococcus granulosus Immunoglobulin 0.0039 0.0086 0.0086
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.2036 1 1
Trypanosoma brucei protein kinase, putative 0.2036 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0022 0 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.2036 1 1
Trichomonas vaginalis CMGC family protein kinase 0.2036 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 9 nM Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incubated for 1 hr prior to PDGF induction measured after 15 mins by fluorescence assay ChEMBL. 24900776
IC50 (binding) = 42 nM Inhibition of KDR (unknown origin) ChEMBL. 24900776
IC50 (binding) = 312 nM Inhibition of cFMS (unknown origin) ChEMBL. 24900776

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.