Compound Detail
CHEMBL4537274
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4537274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RCNYBFLDADACRG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.66
ALogP
6
HBA
2
HBD
93.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 145.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 18.0 | nM | 7.75 | Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) e... | 31368705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31368705 | 10.1021/acs.jmedchem.9b00794 | Tyrosine-protein kinase BTK | 1 |
| 31368705 | 10.1021/acs.jmedchem.9b00794 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine