Compound Detail
CHEMBL5861043
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C=CC(=O)[C@H]1COC[C@@H]1NC(=O)c1sc2nccc3c2c1NC(=O)N3c1ccc(Oc2ccccc2)nc1
Basic Information
| ChEMBL ID | CHEMBL5861043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPQARQFOVZIXRJ-ROUUACIJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
4.67
ALogP
8
HBA
2
HBD
122.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 7.94 | nM | 8.1 | TBD: TBD | - |
Data from ChEMBL 36 via Core Engine