Compound Detail
CHEMBL5821817
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Basic Information
| ChEMBL ID | CHEMBL5821817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMWMITRWODCQFK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
1.70
ALogP
7
HBA
3
HBD
127.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 8.81 | 8.81 | 1.5 | 4 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.22 | 7.22 | 59.7 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.0 | 6.0 | 998.0 | 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 | = | 1.53 | nM | 8.81 | Measurement of RET Inhibitory Activity: To measure the inhibitory activity, firs... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 1.53 | nM | 8.81 | Inhibitory Activity Assay: To measure the inhibitory activity, first, the compou... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 1.53 | nM | 8.81 | Inhibitory Activity Assay: To measure the inhibitory activity, first, the compou... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 1.53 | nM | 8.81 | Measurement of RET Inhibitory Activity (In Vitro): Regarding the conditions for ... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 59.7 | nM | 7.22 | SRC Inhibitory Activity Measurement: Regarding the conditions for measurement of... | - |
| Tyrosine-protein kinase Lck | IC50 | = | 998.0 | nM | 6.0 | LCK Inhibitory Activity Measurement: Regarding the conditions for measurement of... | - |
Data from ChEMBL 36 via Core Engine