Compound Detail
CHEMBL5997227
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Basic Information
| ChEMBL ID | CHEMBL5997227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFVTKKTPFIGHL-QGZVFWFLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.67
ALogP
6
HBA
1
HBD
75.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 9.52 | 8.8475 | 0.3 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 0.3 | nM | 9.52 | Inhibition Kinase Assay: The potency of a compound inhibiting wild type and exem... | - |
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 1.2 | nM | 8.92 | Inhibition Kinase Assay: The potency of a compound inhibiting wild type and exem... | - |
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 1.2 | nM | 8.92 | Inhibition Kinase Assay: The potency of a compound inhibiting wild type and exem... | - |
| Proto-oncogene tyrosine-protein kinase ROS | IC50 | = | 9.4 | nM | 8.03 | Inhibition Kinase Assay: The potency of a compound inhibiting wild type and exem... | - |
Data from ChEMBL 36 via Core Engine