Compound Detail
CHEMBL5936062
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NC(=O)c1c(-c2ccc(Oc3ccc(F)cc3F)cc2)nn(C2CCCN(C(=O)/C=C/C(F)F)C2)c1N
Basic Information
| ChEMBL ID | CHEMBL5936062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSNRPWDSUMXQLE-MDZDMXLPSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
4.29
ALogP
6
HBA
2
HBD
116.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 9.39 | 9.39 | 0.4 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.56 | 6.56 | 274.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 0.41 | nM | 9.39 | Human BTK LanthaScreen Assay: TR-FRET LanthaScreen assays were performed by incu... | - |
| Tyrosine-protein kinase BTK | IC50 | = | 0.41 | nM | 9.39 | LanthaScreen Assay: BTK: TR-FRET LanthaScreen assays were performed by incubatin... | - |
| Epidermal growth factor receptor | IC50 | = | 274.0 | nM | 6.56 | Human EGFR LanthaScreen Selectivity Assay: TR-FRET LanthaScreen assays were perf... | - |
| Epidermal growth factor receptor | IC50 | = | 274.0 | nM | 6.56 | TR-FRET LanthaScreen Assay: EGFR: TR-FRET LanthaScreen assays were performed by ... | - |
Data from ChEMBL 36 via Core Engine