Detailed information for compound 1803052

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 531.58 | Formula: C32H26FN5O2
  • H donors: 2 H acceptors: 4 LogP: 5.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1c2nc(cc(c2ccc1c1nc(n2c1c(N)ncc2)[C@@H]1C[C@](C1)(C)O)Oc1ccccc1)c1ccccc1
  • InChi: 1S/C32H26FN5O2/c1-32(39)17-20(18-32)31-37-28(29-30(34)35-14-15-38(29)31)23-13-12-22-25(40-21-10-6-3-7-11-21)16-24(36-27(22)26(23)33)19-8-4-2-5-9-19/h2-16,20,39H,17-18H2,1H3,(H2,34,35)/t20-,32+
  • InChiKey: ALHCKZGNDIODOK-LPACLJBNSA-N  


Substructure search Similarity search

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 insulin-like growth factor 1 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) hypothetical protein Get druggable targets OG5_129857 All targets in OG5_129857
Loa Loa (eye worm) TK/INSR protein kinase Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum ko:K04527 insulin receptor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus granulosus insulin growth factor 1 receptor beta Get druggable targets OG5_129857 All targets in OG5_129857
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum IPR008957,Fibronectin, type III-like fold,domain-containing Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma japonicum ko:K08252 receptor protein-tyrosine kinase [EC2.7.10.1], putative Get druggable targets OG5_129857 All targets in OG5_129857
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis insulin growth factor 1 receptor beta Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus granulosus insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129857 All targets in OG5_129857
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_129857 All targets in OG5_129857
Echinococcus multilocularis insulin receptor Get druggable targets OG5_129857 All targets in OG5_129857
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 Hepatocellular carcinoma associated antigen 59 0.0124 0.6245 0.6005
Leishmania major chitinase 0.0078 0.1252 0.5
Mycobacterium ulcerans chitinase/cellulase 0.0066 0 0.5
Entamoeba histolytica chitinase, putative 0.0078 0.1252 0.5
Brugia malayi Protein kinase domain containing protein 0.0087 0.2294 0.1803
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0124 0.6245 0.6005
Onchocerca volvulus 0.0124 0.6245 1
Toxoplasma gondii hypothetical protein 0.0124 0.6245 0.5
Brugia malayi Endochitinase 0.0087 0.2276 0.1784
Loa Loa (eye worm) cuticular endochitinase 0.0078 0.1252 0.1252
Loa Loa (eye worm) hypothetical protein 0.0086 0.2155 0.2155
Schistosoma mansoni hypothetical protein 0.0124 0.6245 0.6064
Brugia malayi endochitinase 0.0087 0.2276 0.1784
Loa Loa (eye worm) hypothetical protein 0.0124 0.6245 0.6245
Schistosoma mansoni tyrosine kinase 0.0072 0.0599 0.0146
Mycobacterium ulcerans chitinase/cellulase 0.0066 0 0.5
Onchocerca volvulus Putative endochitinase 0.0087 0.2276 0.2052
Brugia malayi endochitinase 0.0078 0.1252 0.0694
Schistosoma mansoni tyrosine kinase 0.0158 1 1
Loa Loa (eye worm) chitinase I 0.0078 0.1252 0.1252
Schistosoma mansoni tyrosine kinase 0.0072 0.0599 0.0146
Echinococcus multilocularis insulin receptor 0.0158 1 1
Schistosoma mansoni tyrosine kinase 0.0072 0.0599 0.0146
Onchocerca volvulus Putative endochitinase 0.0087 0.2276 0.2052
Onchocerca volvulus 0.0124 0.6245 1
Plasmodium falciparum conserved protein, unknown function 0.0124 0.6245 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.6245 0.6245
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0124 0.6245 0.6005
Loa Loa (eye worm) TK/EGFR protein kinase 0.0072 0.0599 0.0599
Echinococcus granulosus insulin receptor 0.0158 1 1
Loa Loa (eye worm) microfilarial chitinase 0.0076 0.1025 0.1025
Plasmodium vivax hypothetical protein, conserved 0.0124 0.6245 0.5
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0158 1 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0158 1 1
Mycobacterium tuberculosis Possible chitinase 0.0066 0 0.5
Onchocerca volvulus Putative endochitinase 0.0087 0.2276 0.2052
Schistosoma mansoni tyrosine kinase 0.0158 1 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0158 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 nM Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prior to IGF1 induction measured after 15 mins by ELISA ChEMBL. 24900721
T1/2 (binding) = 34 hr Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphorylation by measuring dissociation half life at 20 X IC50 preincubated for 1.5 hrs followed by 100 fold dilution and immediate 2 fold dilution measured for 40 to 100 hrs by fluorescence assay ChEMBL. 24900721

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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