Compound Detail
CHEMBL5930933
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O=C(N[C@H]1CNC[C@H](O)C1)c1sc2nccc3c2c1NC(=O)N3c1ccc(Oc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5930933 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEDOVFSHTBGJKQ-NVXWUHKLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
4.22
ALogP
7
HBA
4
HBD
115.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 | 1 |
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 | Kinase Lanthascreen Binding Assay: A BTK kinase lanthascreen binding assay monit... | - |
Data from ChEMBL 36 via Core Engine