Compound Detail
CHEMBL5281728
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Basic Information
| ChEMBL ID | CHEMBL5281728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGJIZCLLARQVMA-SFHVURJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
2.27
ALogP
5
HBA
3
HBD
77.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL6044 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| BCL2A1/BID CHEMBL5169268 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | EC50 | = | 23.0 | nM | 7.64 | Displacement of fluorescent-labeled BID-BH3 peptide from His-tagged BFL-1 (unkno... | 34034128 |
| BCL2A1/BID | EC50 | = | 1300.0 | nM | 5.89 | Inhibition of BFL-1 (unknown origin)/FITC-conjugated Bid BH3 peptide (unknown or... | 38913996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34034128 | 10.1016/j.ejmech.2021.113539 | Bcl-2-related protein A1 | 1 |
| 38913996 | 10.1021/acs.jmedchem.4c00291 | BCL2A1/BID | 1 |
Data from ChEMBL 36 via Core Engine