Compound Detail
CHEMBL1353989
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 | CHEMBL1353989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRKAIFLXINCNLS-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
3.67
ALogP
6
HBA
1
HBD
81.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN CHEMBL2146312 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.37 | 5.37 | 4230.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.15 | 5.15 | 7009.0 | 1 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 4.61 | 4.61 | 24600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of WRN (unknown origin) | 38521175 |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 4230.0 | nM | 5.37 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 7009.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Bcl-2-related protein A1 | IC50 | = | 24600.0 | nM | 4.61 | PUBCHEM_BIOASSAY: HTS discovery of chemical inhibitors of anti-apoptotic protein... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38521175 | 10.1016/j.bmcl.2024.129711 | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN | 1 |
Data from ChEMBL 36 via Core Engine