Compound Detail
CHEMBL5802545
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Basic Information
| ChEMBL ID | CHEMBL5802545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHOJXMQGFVGBLS-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
369.8
MW (Da)
2.96
ALogP
7
HBA
2
HBD
107.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.05 | 7.425 | 8.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 8.9 | nM | 8.05 | Time-Resolved Fluorescence Transfer (FRET) Assay: RET and KDR: Kinase activity w... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 8.9 | nM | 8.05 | RET and KDR Enzyme Assay: Kinase activity was detected using CisBio HTRF kinEASE... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 157.0 | nM | 6.8 | Time-Resolved Fluorescence Transfer (FRET) Assay: RET and KDR: Kinase activity w... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 157.0 | nM | 6.8 | RET and KDR Enzyme Assay: Kinase activity was detected using CisBio HTRF kinEASE... | - |
Data from ChEMBL 36 via Core Engine