Compound Detail
CHEMBL5820028
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C=CC(=O)Nc1cc(Nc2ncc(Cl)c(-c3cnn4ccccc34)n2)c(OC)cc1N1CCC(N(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL5820028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBRHHKSETRXRCP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.0
MW (Da)
4.46
ALogP
9
HBA
2
HBD
99.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 300.0 | nM | 6.52 | ASV & NPG EGFR Exon 20 Insertion Mutations: A compound's ability in selectively ... | - |
Data from ChEMBL 36 via Core Engine