Detailed information for compound 1511445

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.408 | Formula: C19H15F3N4O2S
  • H donors: 0 H acceptors: 4 LogP: 3.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1nccc(c1)CN1C(=O)N(C(=O)C1(C)C)c1ccc(cc1)SC(F)(F)F
  • InChi: 1S/C19H15F3N4O2S/c1-18(2)16(27)26(14-3-5-15(6-4-14)29-19(20,21)22)17(28)25(18)11-12-7-8-24-13(9-12)10-23/h3-9H,11H2,1-2H3
  • InChiKey: CHSJKLUHWQMDJL-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 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
Schistosoma japonicum Insulin-like peptide receptor precursor, putative Get druggable targets OG5_129857 All targets in OG5_129857
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
Echinococcus granulosus insulin growth factor 1 receptor beta 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
Brugia malayi Protein kinase domain containing protein 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:K04527 insulin receptor, 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 granulosus insulin receptor 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
Schistosoma japonicum IPR008957,Fibronectin, type III-like fold,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
Schistosoma mansoni tyrosine kinase 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

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
Brugia malayi Protein kinase domain containing protein 0.0158 0.2881 0.2844
Schistosoma mansoni nuclear hormone receptor 0.0158 0.2893 0.0018
Loa Loa (eye worm) hypothetical protein 0.0177 0.3654 0.3654
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0158 0.2893 0.0018
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Loa Loa (eye worm) nuclear receptor NHR-67 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0177 0.3654 0.3654
Brugia malayi nuclear hormone receptor 0.0158 0.2893 0.2857
Brugia malayi nuclear receptor RXR 0.0158 0.2893 0.2857
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0158 0.2893 0.0018
Brugia malayi ecdysone receptor 0.0158 0.2893 0.2857
Brugia malayi hypothetical protein 0.0158 0.2893 0.2857
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0177 0.3654 0.1087
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Echinococcus granulosus nuclear receptor nhr 48 0.0158 0.2893 0.0018
Loa Loa (eye worm) TK/INSR protein kinase 0.0158 0.2881 0.2881
Brugia malayi hypothetical protein 0.0177 0.3654 0.3622
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0158 0.2893 0.0018
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0177 0.3654 0.3654
Echinococcus granulosus Nuclear hormone receptor HR96 0.0158 0.2893 0.0018
Schistosoma mansoni nuclear hormone receptor 0.0158 0.2893 0.0018
Brugia malayi hypothetical protein 0.0158 0.2893 0.2857
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Brugia malayi hypothetical protein 0.0177 0.3654 0.3622
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0158 0.2893 0.0018
Brugia malayi tailless protein 0.0158 0.2893 0.2857
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0177 0.3654 0.1087
Schistosoma mansoni nuclear receptor 0.0158 0.2893 0.0018
Echinococcus granulosus thyroid hormone receptor alpha 0.0158 0.2893 0.0018
Brugia malayi nuclear receptor NHR-67 0.0158 0.2893 0.2857
Brugia malayi nuclear receptor RXR 0.0177 0.3654 0.3622
Brugia malayi orphan nuclear receptor NR2E1 0.0158 0.2893 0.2857
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0158 0.2893 0.2893
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0177 0.3654 0.1087
Echinococcus multilocularis nuclear receptor nhr 48 0.0158 0.2893 0.0018
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0158 0.2893 0.0018
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0158 0.2893 0.0018
Brugia malayi nuclear receptor NHR-88 0.0158 0.2893 0.2857
Loa Loa (eye worm) hypothetical protein 0.0177 0.3654 0.3654
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Echinococcus granulosus Nuclear hormone receptor HR96 0.0158 0.2893 0.0018
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0158 0.2893 0.0018
Brugia malayi Nuclear hormone receptor-like 1 0.0177 0.3654 0.3622
Brugia malayi Nuclear hormone receptor-like 1 0.0177 0.3654 0.3622
Brugia malayi nuclear hormone receptor family member nhr-6 0.0158 0.2893 0.2857
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0158 0.2893 0.0018
Brugia malayi conserved hypotetical protein 0.0158 0.2893 0.2857
Brugia malayi nuclear hormone receptor family member odr-7 0.0158 0.2893 0.2857
Brugia malayi Nuclear hormone receptor E75 0.0158 0.2893 0.2857
Loa Loa (eye worm) nuclear hormone receptor 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0177 0.3654 0.1087
Brugia malayi Nuclear hormone receptor E75 0.0158 0.2893 0.2857
Loa Loa (eye worm) DR-78 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0158 0.2893 0.0018
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0177 0.3654 0.3654
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0158 0.2893 0.2893
Loa Loa (eye worm) hypothetical protein 0.0177 0.3654 0.3654
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0158 0.2893 0.2857
Schistosoma mansoni zinc finger protein 0.0158 0.2893 0.0018
Schistosoma mansoni nuclear receptor nhr-48 0.0158 0.2893 0.0018
Schistosoma mansoni nuclear receptor 0.0158 0.2893 0.0018

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expressed in SF21 cells by time resolved-fluorescent assay ChEMBL. 21441024

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.