Compound Detail
CHEMBL3260038
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 | CHEMBL3260038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDKXKPXMNXCPOR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
5.49
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL6044 | Ki | 5.96 | 5.96 | 1090.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 5.31 | 5.005 | 4890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | Ki | = | 1090.0 | nM | 5.96 | Inhibition of Bfl-1 (unknown origin) assessed as inhibition constant | 38373466 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 4890.0 | nM | 5.31 | Inhibition of Mcl-1 (unknown origin) assessed as inhibition constant | 38373466 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 20000.0 | nM | 4.7 | Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origi... | 24749893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24749893 | 10.1021/jm500010b | Induced myeloid leukemia cell differentiation protein Mcl-1 | 2 |
| 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