Compound Detail
CHEMBL5871879
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COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)ccc1N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL5871879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIQHRPNVYBPCQW-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
524.0
MW (Da)
3.65
ALogP
9
HBA
2
HBD
102.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.92 | 7.915 | 12.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.64 | 7.06 | 22.8 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 12.0 | nM | 7.92 | TBD: TBD | - |
| ALK tyrosine kinase receptor | IC50 | = | 12.2 | nM | 7.91 | Kinase Assay (ALK): Kinase Assay Protocol:Bar-coded Corning, low volume NBS, bla... | - |
| Epidermal growth factor receptor | IC50 | = | 23.0 | nM | 7.64 | TBD: TBD | - |
| Epidermal growth factor receptor | IC50 | = | 22.8 | nM | 7.64 | Kinase Assay (EGFR)(T790M)(L858R): Kinase Assay Protocol:Bar-coded Corning, low ... | - |
| Epidermal growth factor receptor | IC50 | = | 38.0 | nM | 7.42 | TBD: TBD | - |
| Epidermal growth factor receptor | IC50 | = | 38.2 | nM | 7.42 | Kinase Assay (EGFR)(T790M): Kinase Assay Protocol:Bar-coded Corning, low volume ... | - |
| Epidermal growth factor receptor | IC50 | = | 756.0 | nM | 6.12 | TBD: TBD | - |
| Epidermal growth factor receptor | IC50 | = | 756.0 | nM | 6.12 | Kinase Assay (EGFR): Kinase Assay Protocol:Bar-coded Corning, low volume NBS, bl... | - |
Data from ChEMBL 36 via Core Engine