Compound Detail
CHEMBL4097011
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Basic Information
| ChEMBL ID | CHEMBL4097011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPXQVVIBBLAANE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.00
ALogP
5
HBA
1
HBD
92.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peregrin CHEMBL3132741 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peregrin | IC50 | = | 15.0 | nM | 7.82 | 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 | 2 |
| 28068087 | 10.1021/acs.jmedchem.6b01583 | Bromodomain and PHD finger-containing protein 3 | 1 |
| 28068087 | 10.1021/acs.jmedchem.6b01583 | Bromodomain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine