Compound Detail
CHEMBL5936852
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C=CC(=O)N1C[C@@H](O)C[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cccc(-c3cccc(F)c3F)c2)C1
Basic Information
| ChEMBL ID | CHEMBL5936852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKJQWSYXZUEYSV-AEFFLSMTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
4.80
ALogP
6
HBA
3
HBD
114.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.2 | 8.2 | 6.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 6.31 | nM | 8.2 | TBD: TBD | - |
| Tyrosine-protein kinase BTK | IC50 | = | 6.31 | nM | 8.2 | Kinase Lanthascreen Binding Assay: A BTK kinase lanthascreen binding assay monit... | - |
Data from ChEMBL 36 via Core Engine