Compound Detail
CHEMBL5197023
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CN1CCN(Cc2ccc(NC(=O)c3cccc(/C=C\c4cnc5ccccc5c4N(C)C)c3)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5197023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIFADGCCHCZRNR-QXMHVHEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
573.7
MW (Da)
6.49
ALogP
5
HBA
1
HBD
51.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of human RET kinase using IGF1Rtide as substrate incubated for 40 min... | 35305461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35305461 | 10.1016/j.ejmech.2022.114226 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine