Compound Detail
CHEMBL5910757
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C=CC(=O)Nc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)C(=O)N(C)C)n2)c(OC)cc1N1CCN(C)CC1
Basic Information
| ChEMBL ID | CHEMBL5910757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMFMUJZRXZXYAH-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
593.1
MW (Da)
3.77
ALogP
10
HBA
3
HBD
132.0
PSA (Ų)
0.18
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.81 | 7.07 | 15.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 9.33 | nM | 8.03 | Kinase Assay (ALK): Kinase Assay Protocol:Bar-coded Corning, low volume NBS, bla... | - |
| Epidermal growth factor receptor | IC50 | = | 15.5 | nM | 7.81 | Kinase Assay (EGFR)(T790M)(L858R): Kinase Assay Protocol:Bar-coded Corning, low ... | - |
| Epidermal growth factor receptor | IC50 | = | 15.8 | nM | 7.8 | Kinase Assay (EGFR)(T790M): Kinase Assay Protocol:Bar-coded Corning, low volume ... | - |
| Epidermal growth factor receptor | IC50 | = | 422.0 | nM | 6.38 | Kinase Assay (EGFR/L858R): Kinase Assay Protocol:Bar-coded Corning, low volume N... | - |
| Epidermal growth factor receptor | IC50 | = | 513.0 | nM | 6.29 | Kinase Assay (EGFR): Kinase Assay Protocol:Bar-coded Corning, low volume NBS, bl... | - |
Data from ChEMBL 36 via Core Engine