Compound Detail
CHEMBL4873622
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Basic Information
| ChEMBL ID | CHEMBL4873622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWSQOLWJHPFPNP-CQSZACIVSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.89
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Ki 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 6.4 | 6.4 | 398.0 | 2 |
| Tyrosine-protein kinase BTK CHEMBL5251 | Ki | 5.19 | 5.19 | 6420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 398.0 | nM | 6.4 | TBD: TBD | - |
| Tyrosine-protein kinase BTK | IC50 | = | 398.0 | nM | 6.4 | Kinase Lanthascreen Binding Assay: A BTK kinase lanthascreen binding assay monit... | - |
| Tyrosine-protein kinase BTK | Ki | = | 6420.0 | nM | 5.19 | Covalent inhibition of recombinant human GST-tagged BTK (2 to 659 end residues) ... | 34055226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34055226 | 10.1021/acsmedchemlett.1c00044 | Tyrosine-protein kinase BTK | 4 |
| 34055226 | 10.1021/acsmedchemlett.1c00044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine