Compound Detail
CHEMBL5556531
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C=CC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4)c23)c1
Basic Information
| ChEMBL ID | CHEMBL5556531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJBBRIGNNQUHMN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
653.7
MW (Da)
7.97
ALogP
7
HBA
3
HBD
135.4
PSA (Ų)
0.10
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 6.21 | 6.21 | 617.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 42.0 | nM | 7.38 | Inhibition of EGFR T790M/L858R double mutant (unknown origin) by kinase Glo assa... | 38913493 |
| Tyrosine-protein kinase Mer | IC50 | = | 617.9 | nM | 6.21 | Inhibition of MER (unknown origin) expressed in mouse BaF3 cells co-expressing T... | 38913493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38913493 | 10.1021/acs.jmedchem.4c00400 | Tyrosine-protein kinase Mer | 2 |
| 38913493 | 10.1021/acs.jmedchem.4c00400 | Epidermal growth factor receptor | 2 |
| 38913493 | 10.1021/acs.jmedchem.4c00400 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine