Compound Detail
CHEMBL4848545
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Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCC3(CC2)CCN(C(C)c2ccc(-n4cc(F)cn4)nc2)C3=O)n1
Basic Information
| ChEMBL ID | CHEMBL4848545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXDRPELFIWFPTI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.6
MW (Da)
3.86
ALogP
9
HBA
2
HBD
120.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 7.13 | 7.0 | 73.9 | 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 | = | 73.87 | nM | 7.13 | Inhibition of RET wild type (unknown origin) | 34058344 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 133.6 | nM | 6.87 | Inhibition of RET V804M mutant (unknown origin) | 34058344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34058344 | 10.1016/j.bmcl.2021.128149 | Proto-oncogene tyrosine-protein kinase receptor Ret | 3 |
Data from ChEMBL 36 via Core Engine