Compound Detail
CHEMBL3828061
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Basic Information
| ChEMBL ID | CHEMBL3828061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYMKBKBDJSJFNV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
2.32
ALogP
7
HBA
1
HBD
87.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peregrin CHEMBL3132741 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peregrin | IC50 | = | 100.0 | nM | 7.0 | Inhibition of synthetic fluorescent ligand binding to recombinant truncated 6H-F... | 27326325 |
| Bromodomain-containing protein 4 | IC50 | = | 39810.72 | nM | 4.4 | Inhibition of Alexa Fluor 647-tagged I-BET762 binding to recombinant truncated 6... | 27326325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27326325 | 10.1021/acsmedchemlett.6b00092 | Peregrin | 1 |
| 27326325 | 10.1021/acsmedchemlett.6b00092 | Bromodomain-containing protein 4 | 1 |
| 27326325 | 10.1021/acsmedchemlett.6b00092 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine