Compound Detail
CHEMBL1428264
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 | CHEMBL1428264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMOCZAYXRHRQBE-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.3
MW (Da)
3.38
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.16
EC50 2 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.16 | 5.16 | 6981.8 | 1 |
| RecQ-like DNA helicase BLM CHEMBL1293237 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.65 | 4.62 | 22418.0 | 2 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.18 | 4.18 | 65500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 6981.82 | nM | 5.16 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| RecQ-like DNA helicase BLM | IC50 | = | 14100.0 | nM | 4.85 | Inhibition of BLM (unknown origin) by gel-based DNA unwinding assay | 24012121 |
| Unchecked | EC50 | = | 22418.0 | nM | 4.65 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 23200.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Unchecked | EC50 | = | 25950.0 | nM | 4.59 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Prothrombin | IC50 | = | 65500.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24012121 | 10.1016/j.bmcl.2013.08.025 | RecQ-like DNA helicase BLM | 1 |
Data from ChEMBL 36 via Core Engine