Compound Detail
CHEMBL5418778
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 | CHEMBL5418778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZIZFCBOWSHHHK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
4.98
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL6044 | Ki | 5.72 | 5.72 | 1920.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.13 | 5.13 | 7480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | Ki | = | 1920.0 | nM | 5.72 | Inhibition of Bfl-1 (unknown origin) assessed as inhibition constant | 38373466 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 7480.0 | nM | 5.13 | Inhibition of Mcl-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 |
| 38373466 | 10.1016/j.bmcl.2024.129658 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine