Compound Detail
CHEMBL5413651
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Basic Information
| ChEMBL ID | CHEMBL5413651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAJGRIIZGAVIRJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
5.12
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL6044 | Ki | 5.74 | 5.74 | 1840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | Ki | = | 1840.0 | nM | 5.74 | Inhibition of Bfl-1 (unknown origin) assessed as inhibition constant | 38373466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38373466 | 10.1016/j.bmcl.2024.129658 | Bcl-2-related protein A1 | 1 |
| 38373466 | 10.1016/j.bmcl.2024.129658 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine