Compound Detail
CHEMBL3827932
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 | CHEMBL3827932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFXIHQFRQPGCCR-MRXNPFEDSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
2.35
ALogP
7
HBA
1
HBD
71.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peregrin CHEMBL3132741 | IC50 | 6.0 | 5.7 | 1000.0 | 2 |
| Bromodomain-containing protein 1 CHEMBL2176774 | IC50 | 4.3 | 4.3 | 50118.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peregrin | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-F... | 27326325 |
| Peregrin | IC50 | = | 3981.07 | nM | 5.4 | Binding affinity to NanoLuc-tagged BRPF1 isoform 1 bromodomain (625 to 735 resid... | 27326325 |
| Bromodomain-containing protein 1 | IC50 | = | 50118.72 | nM | 4.3 | Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6His... | 27326325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27326325 | 10.1021/acsmedchemlett.6b00092 | Peregrin | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 27326325 | 10.1021/acsmedchemlett.6b00092 | Bromodomain-containing protein 1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine