Compound Detail
CHEMBL5206567
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CCCc1cccc2cc(/C=C/c3cccc(C(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)c3)cnc12
Basic Information
| ChEMBL ID | CHEMBL5206567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGGJDJZDXCZGEL-VAWYXSNFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.7
MW (Da)
7.38
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.25 | 5.25 | 5600.0 | 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 | = | 5600.0 | nM | 5.25 | 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