Detailed information for compound 1739537
Basic information
Technical information
- Name: Unnamed compound
- MW: 480.602 | Formula: C26H36N6O3
-
H donors: 3
H acceptors: 4
LogP: 3.78
Rotable bonds: 13
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cccc(c1)CCNc1ncc(c(n1)NC1CCCC1)C(=O)NCCCN1CCCC1=O
- InChi: 1S/C26H36N6O3/c1-35-21-10-4-7-19(17-21)12-14-28-26-29-18-22(24(31-26)30-20-8-2-3-9-20)25(34)27-13-6-16-32-15-5-11-23(32)33/h4,7,10,17-18,20H,2-3,5-6,8-9,11-16H2,1H3,(H,27,34)(H2,28,29,30,31)
- InChiKey: LZLZOXCONLAMBC-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 | TYRO3 protein tyrosine kinase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Schistosoma japonicum | IPR008957,Fibronectin, type III-like fold,domain-containing | Get druggable targets OG5_132328 | All targets in OG5_132328 |
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 | tyrosine kinase | 0.0011 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Lyn | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Blk | 0.0011 | 1 | 1 |
| Brugia malayi | Tyrosine-protein kinase abl-1 | 0.0011 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/ABL protein kinase | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | proto oncogene tyrosine protein kinase LCK | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | insulin growth factor 1 receptor beta | 0.001 | 0.5425 | 0.5425 |
| Echinococcus granulosus | tyrosine protein kinase transmembrane receptor | 0.0009 | 0.3158 | 0.3158 |
| Echinococcus granulosus | tyrosine protein kinase Srms | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0011 | 1 | 1 |
| Brugia malayi | protein-tyrosine kinase | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase ABL1 | 0.0011 | 1 | 1 |
| Onchocerca volvulus | 0.0011 | 1 | 1 | |
| Echinococcus granulosus | tyrosine kinase|tyrosine protein kinase Fyn | 0.0011 | 1 | 1 |
| Onchocerca volvulus | 0.0011 | 1 | 1 | |
| Onchocerca volvulus | Tyrosine kinase homolog | 0.0009 | 0.3158 | 0.3158 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0011 | 1 | 1 |
| Brugia malayi | SH2 domain containing protein | 0.0011 | 1 | 1 |
| Entamoeba histolytica | SH2-protein kinase domain containing protein | 0.0011 | 1 | 0.5 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 1 | 1 |
| Echinococcus granulosus | insulin growth factor 1 receptor beta | 0.001 | 0.5425 | 0.5425 |
| Echinococcus multilocularis | tyrosine kinase | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Btk29A | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fgr | 0.0011 | 1 | 1 |
| Schistosoma mansoni | ephrin receptor | 0.001 | 0.5425 | 0.5425 |
| Loa Loa (eye worm) | hypothetical protein | 0.0011 | 1 | 1 |
| Onchocerca volvulus | 0.0011 | 1 | 1 | |
| Schistosoma mansoni | tyrosine kinase | 0.0009 | 0.3158 | 0.3158 |
| Echinococcus granulosus | tyrosine protein kinase Blk | 0.0011 | 1 | 1 |
| Schistosoma mansoni | proto-oncogene tyrosine-protein kinase src | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK protein kinase | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase shark | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src64B | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src42A | 0.0011 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0011 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase shark | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | c src tyrosine kinase | 0.0011 | 1 | 1 |
| Brugia malayi | SRC-1 | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Srms | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Onchocerca volvulus | 0.0011 | 1 | 1 | |
| Echinococcus granulosus | tyrosine protein kinase Fps85D | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0011 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0011 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0011 | 1 | 1 |
| Echinococcus granulosus | proto oncogene tyrosine protein kinase LCK | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase ABL1 | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | SRC-1 | 0.0011 | 1 | 1 |
| Echinococcus granulosus | 3'partial|tyrosine protein kinase Fgr | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine kinase | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/ROR protein kinase | 0.0009 | 0.3158 | 0.3158 |
| Echinococcus multilocularis | tyrosine protein kinase lyn tyrosine protein kinase blk | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src42A | 0.0011 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0009 | 0.3158 | 0.3158 |
| Echinococcus granulosus | c src tyrosine kinase | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK protein kinase | 0.0009 | 0.3158 | 0.3158 |
| Onchocerca volvulus | 0.0011 | 1 | 1 | |
| Brugia malayi | SH2 domain containing protein | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src64B | 0.0011 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fps85D | 0.0011 | 1 | 1 |
| Loa Loa (eye worm) | TK/FER protein kinase | 0.0011 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase transmembrane receptor | 0.0009 | 0.3158 | 0.3158 |
| Onchocerca volvulus | 0.0011 | 1 | 1 | |
| Echinococcus multilocularis | tyrosine protein kinase Abl | 0.0011 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.037 uM | Inhibition of Sky (unknown origin) in presence of 60 uM ATP by ELISA | ChEMBL. | 23312472 |
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.
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
- ChEMBL: CHEMBL2312318
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.