Compound Detail
CHEMBL5193068
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COc1c(/N=N\c2cccc(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)c2)cnc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL5193068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIQCWOGLRHLGOB-KRYSQPQISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
562.6
MW (Da)
6.68
ALogP
7
HBA
1
HBD
82.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 6.44 | 5.925 | 363.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 363.0 | nM | 6.44 | Inhibition of human RET kinase using IGF1Rtide as substrate incubated for 40 min... | 35305461 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 3890.0 | nM | 5.41 | Inhibition of full-length RET kinase expressed in human HEK293 cells and measure... | 35305461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35305461 | 10.1016/j.ejmech.2022.114226 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2 |
Data from ChEMBL 36 via Core Engine