Detailed information for compound 1788243

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 439.527 | Formula: C23H25N3O4S
  • H donors: 2 H acceptors: 3 LogP: 2.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(/C=C/1\C(=O)Nc3c1cc(cc3)S(=O)(=O)NC(C)(C)C)cn2C
  • InChi: 1S/C23H25N3O4S/c1-23(2,3)25-31(28,29)16-7-8-20-18(12-16)19(22(27)24-20)10-14-13-26(4)21-9-6-15(30-5)11-17(14)21/h6-13,25H,1-5H3,(H,24,27)/b19-10-
  • InChiKey: CSTIJWAITVTRRU-GRSHGNNSSA-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 spleen tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131855 All targets in OG5_131855
Echinococcus multilocularis tyrosine protein kinase shark Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma japonicum ko:K05855 spleen tyrosine kinase, putative Get druggable targets OG5_131855 All targets in OG5_131855
Echinococcus granulosus tyrosine protein kinase shark Get druggable targets OG5_131855 All targets in OG5_131855
Schistosoma japonicum ko:K08253 non-specific protein-tyrosine kinase [EC2.7.10.2], putative Get druggable targets OG5_131855 All targets in OG5_131855

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
Trichomonas vaginalis cyclins, putative 0.031 0.0203 1
Echinococcus granulosus cyclin B 0.031 0.0203 0.0095
Schistosoma mansoni tyrosine kinase 0.0264 0.015 0.0041
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.031 0.0203 0.5
Schistosoma mansoni cyclin B3 0.0589 0.0529 0.0424
Trichomonas vaginalis cyclin B, putative 0.031 0.0203 1
Entamoeba histolytica cyclin, putative 0.031 0.0203 1
Trichomonas vaginalis cyclin B, putative 0.031 0.0203 1
Leishmania major cyclin 0.031 0.0203 0.5
Trypanosoma cruzi cyclin, putative 0.031 0.0203 0.5
Loa Loa (eye worm) cyclin domain-containing protein 0.0589 0.0529 0.0332
Trichomonas vaginalis cyclin D, putative 0.0229 0.0109 0.539
Trichomonas vaginalis cyclin B, putative 0.031 0.0203 1
Trichomonas vaginalis cyclin B, putative 0.0229 0.0109 0.539
Trichomonas vaginalis cyclin B, putative 0.031 0.0203 1
Trypanosoma cruzi cyclin 6, putative 0.031 0.0203 0.5
Schistosoma mansoni cyclin B 0.031 0.0203 0.0095
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.871 1 1
Trichomonas vaginalis cyclin D, putative 0.0229 0.0109 0.539
Echinococcus multilocularis cyclin B 0.031 0.0203 0.0095
Plasmodium falciparum cyclin 0.0229 0.0109 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0229 0.0109 0.539
Trypanosoma cruzi cyclin, putative 0.031 0.0203 0.5
Trichomonas vaginalis cyclins, putative 0.031 0.0203 1
Trichomonas vaginalis cyclins, putative 0.0229 0.0109 0.539
Schistosoma mansoni Hyaluronidase 0.871 1 1
Echinococcus granulosus tyrosine protein kinase shark 0.0264 0.015 0.0041
Trypanosoma brucei mitotic cyclin 6 0.031 0.0203 0.5
Toxoplasma gondii hypothetical protein 0.0174 0.0045 0.5
Loa Loa (eye worm) hyaluronidase 0.871 1 1
Echinococcus multilocularis tyrosine protein kinase shark 0.0264 0.015 0.0041
Trichomonas vaginalis cyclins, putative 0.031 0.0203 1
Schistosoma mansoni tyrosine kinase 0.0258 0.0143 0.0034
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0589 0.0529 0.0424
Giardia lamblia G2/mitotic-specific cyclin B 0.031 0.0203 1
Trichomonas vaginalis cyclin A, putative 0.031 0.0203 1
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0589 0.0529 0.0424
Onchocerca volvulus 0.031 0.0203 0.5
Trypanosoma cruzi CYC2-like cyclin, putative 0.031 0.0203 0.5
Trichomonas vaginalis cyclin B3, putative 0.0229 0.0109 0.539
Trichomonas vaginalis cyclins, putative 0.031 0.0203 1
Echinococcus granulosus bifunctional protein NCOAT 0.871 1 1
Loa Loa (eye worm) hypothetical protein 0.37 0.4157 0.4036
Brugia malayi Cyclin, N-terminal domain containing protein 0.0589 0.0529 0.0332
Echinococcus multilocularis bifunctional protein NCOAT 0.871 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.937 uM Inhibition of spleen tyrosine kinase (unknown origin) ChEMBL. 23917087

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.