Compound Detail
CHEMBL5417854
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Basic Information
| ChEMBL ID | CHEMBL5417854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDPLBSMJRIJZKP-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
578.8
MW (Da)
3.45
ALogP
10
HBA
4
HBD
139.1
PSA (Ų)
0.16
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.93
Kd 1 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| microRNA 21 CHEMBL1615322 | Kd | 6.48 | 6.48 | 330.0 | 1 |
| microRNA 21 CHEMBL1615322 | IC50 | 4.93 | 4.595 | 11800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| microRNA 21 | Kd | = | 330.0 | nM | 6.48 | Binding affinity to 5'-fluorescein labeled pre-miR-21 (unknown origin) by fluore... | 37449818 |
| microRNA 21 | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of pre-miR-21 (unknown origin) dicer cleavage activity preincubated f... | 37449818 |
| microRNA 21 | IC50 | = | 55500.0 | nM | 4.26 | Inhibition of pre-miR-21 (unknown origin) dicer cleavage activity preincubated f... | 37449818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37449818 | 10.1021/acs.jmedchem.3c00797 | microRNA 21 | 3 |
| 37449818 | 10.1021/acs.jmedchem.3c00797 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine