Compound Detail
CHEMBL4064729
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Basic Information
| ChEMBL ID | CHEMBL4064729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXAIUTWBDRKXTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
0.91
ALogP
4
HBA
1
HBD
68.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peregrin CHEMBL3132741 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peregrin | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of human BRPF1 (627 to 740 residues) expressed in Escherichia coli BL... | 28714688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28714688 | 10.1021/acs.jmedchem.7b00611 | Peregrin | 2 |
Data from ChEMBL 36 via Core Engine