Compound Detail
CHEMBL6062851
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C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ncc(Cl)cc4F)cc3)c(C(N)=O)c2N)C1
Basic Information
| ChEMBL ID | CHEMBL6062851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMFKLMVUBGVUPG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.9
MW (Da)
3.56
ALogP
7
HBA
2
HBD
129.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.48 | nM | 9.32 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
| Epidermal growth factor receptor | IC50 | = | 2.9 | nM | 8.54 | Human EGFR LanthaScreen Selectivity Assay: TR-FRET LanthaScreen assays were perf... | - |
Data from ChEMBL 36 via Core Engine