Detailed information for compound 1642669
Basic information
Technical information
- Name: Unnamed compound
- MW: 448.438 | Formula: C22H23F3N4O3
-
H donors: 3
H acceptors: 4
LogP: 3.59
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(c1nc(cnc1N)c1cccc(c1)OC(F)(F)F)N[C@@H]1C2CC3CC1C[C@@](C2)(C3)O
- InChi: 1S/C22H23F3N4O3/c23-22(24,25)32-15-3-1-2-12(6-15)16-10-27-19(26)18(28-16)20(30)29-17-13-4-11-5-14(17)9-21(31,7-11)8-13/h1-3,6,10-11,13-14,17,31H,4-5,7-9H2,(H2,26,27)(H,29,30)/t11?,13?,14?,17-,21+
- InChiKey: KACWONWCFCFZRJ-MUDAVHDRSA-N
Network
Hover on a compound node to display the structore
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 multilocularis | receptor type tyrosine protein phosphatase | 0.0008 | 1 | 1 |
| Schistosoma mansoni | myosin-binding protein-related | 0.0008 | 1 | 1 |
| Echinococcus granulosus | neuroglian | 0.0008 | 1 | 1 |
| Onchocerca volvulus | 0.0008 | 1 | 1 | |
| Schistosoma mansoni | cell adhesion molecule | 0.0008 | 1 | 1 |
| Onchocerca volvulus | 0.0008 | 1 | 1 | |
| Schistosoma mansoni | cell adhesion molecule | 0.0008 | 1 | 1 |
| Schistosoma mansoni | ephrin receptor | 0.0006 | 0.2459 | 0.2459 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0008 | 1 | 1 |
| Schistosoma mansoni | nephrin | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | neuroglian | 0.0008 | 1 | 1 |
| Schistosoma mansoni | nephrin | 0.0008 | 1 | 1 |
| Echinococcus granulosus | roundabout 2 | 0.0008 | 1 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase | 0.0008 | 1 | 1 |
| Schistosoma mansoni | receptor tyrosine phosphatase type r2a | 0.0008 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0008 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0008 | 1 | 1 |
| Echinococcus granulosus | roundabout 2 | 0.0008 | 1 | 1 |
| Echinococcus granulosus | insulin growth factor 1 receptor beta | 0.0006 | 0.2459 | 0.2459 |
| Echinococcus multilocularis | roundabout 2 | 0.0008 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | roundabout 2 | 0.0008 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Echinococcus granulosus | nephrin | 0.0008 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Schistosoma mansoni | neuroglian | 0.0008 | 1 | 1 |
| Echinococcus granulosus | roundabout 2 | 0.0008 | 1 | 1 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0008 | 1 | 1 |
| Schistosoma mansoni | titin | 0.0008 | 1 | 1 |
| Onchocerca volvulus | 0.0008 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0008 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | immunoglobulin I-set domain-containing protein | 0.0008 | 1 | 1 |
| Echinococcus granulosus | receptor type tyrosine protein phosphatase | 0.0008 | 1 | 1 |
| Echinococcus granulosus | titin | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | CAMK/MLCK protein kinase | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | receptor type tyrosine protein phosphatase F | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | projectin | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | transfer RNA-Phe | 0.0008 | 1 | 1 |
| Brugia malayi | protein unc-22 | 0.0008 | 1 | 1 |
| Echinococcus granulosus | titin | 0.0008 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | contactin neuroglian septate junction protein | 0.0008 | 1 | 1 |
| Schistosoma mansoni | hemicentin | 0.0008 | 1 | 1 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | titin | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | roundabout 2 | 0.0008 | 1 | 1 |
| Schistosoma mansoni | cell adhesion molecule | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | CAMK/MLCK protein kinase | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | CAMK protein kinase | 0.0008 | 1 | 1 |
| Echinococcus multilocularis | insulin growth factor 1 receptor beta | 0.0006 | 0.2459 | 0.2459 |
| Schistosoma mansoni | titin | 0.0008 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0008 | 1 | 1 |
| Echinococcus granulosus | contactin | 0.0008 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.4 uM | Inhibition of human recombinant Sky using poly-GT as substrate and [33P]ATP after 40 mins by beta counting | ChEMBL. | 22425453 |
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: CHEMBL2018017
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.