Compound Detail
CHEMBL5818238
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C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1C#CCN(C)C
Basic Information
| ChEMBL ID | CHEMBL5818238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHKCRROMSORZEO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
4.21
ALogP
9
HBA
2
HBD
110.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.52 | 6.32 | 300.0 | 2 |
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 ... | - |
| Epidermal growth factor receptor | IC50 | = | 750.0 | nM | 6.12 | HER2 Exon 20 YVMA Insertion Mutation: A compound's ability in selectively inhibi... | - |
Data from ChEMBL 36 via Core Engine