Compound Detail
CHEMBL4848347
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CC(=O)N1CCN([C@H]2C[C@@H](n3cc(-c4cccc(O)c4)c4c(N)ncnc43)C2)CC1
Basic Information
| ChEMBL ID | CHEMBL4848347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDWGWERBFXSKLX-CALCHBBNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
2.25
ALogP
7
HBA
2
HBD
100.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET CHEMBL3430888 | IC50 | 6.11 | 6.11 | 770.0 | 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 | = | 5.0 | nM | 8.3 | Inhibition of RET (658 to 1072) (unknown origin) by HTRF assay | 34917254 |
| Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | IC50 | = | 770.0 | nM | 6.11 | Inhibition of KIF5B-RET fusion protein (unknown origin) expressed in mouse BaF3 ... | 34917254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34917254 | 10.1021/acsmedchemlett.1c00450 | BaF3 | 1 |
| 34917254 | 10.1021/acsmedchemlett.1c00450 | Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET | 1 |
| 34917254 | 10.1021/acsmedchemlett.1c00450 | Vascular endothelial growth factor receptor 2 | 1 |
| 34917254 | 10.1021/acsmedchemlett.1c00450 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
Data from ChEMBL 36 via Core Engine