Compound Detail
CHEMBL4079041
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 | CHEMBL4079041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSPMDZJWOCCHDG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
1.43
ALogP
3
HBA
1
HBD
48.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peregrin CHEMBL3132741 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peregrin | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human BRPF1 expressed in Escherichia coli BL21 after 1 hr by BROMO... | 28068087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28068087 | 10.1021/acs.jmedchem.6b01583 | Peregrin | 1 |
Data from ChEMBL 36 via Core Engine