Compound Detail
CHEMBL5939730
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Basic Information
| ChEMBL ID | CHEMBL5939730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHBFEXSPOITQAX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
1.83
ALogP
6
HBA
3
HBD
114.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 9.32 | 9.32 | 0.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 0.48 | nM | 9.32 | Inhibitory Activity Assay: To measure the inhibitory activity, first, the compou... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 0.48 | nM | 9.32 | Inhibitory Activity Assay: To measure the inhibitory activity, first, the compou... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 0.48 | nM | 9.32 | Measurement of RET Inhibitory Activity (In Vitro): Regarding the conditions for ... | - |
Data from ChEMBL 36 via Core Engine