Compound Detail
CHEMBL537897
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 | CHEMBL537897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSGJFAIFQWIRNM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL59451 |
| Active Moiety | CHEMBL59451 |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
1.88
ALogP
8
HBA
6
HBD
139.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.68 | 6.2367 | 21.0 | 3 |
| Protein kinase C epsilon type CHEMBL3582 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
| Myosin light chain kinase, smooth muscle CHEMBL2428 | IC50 | 4.75 | 4.75 | 17800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 21.0 | nM | 7.68 | Inhibition of PKC | 18077363 |
| Protein kinase C (PKC) | IC50 | = | 21.0 | nM | 7.68 | Inhibition of rat brain PKC | 18077363 |
| Protein kinase C epsilon type | IC50 | = | 108.0 | nM | 6.97 | Inhibition of PKCepsilon | 18077363 |
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of phosphorylase kinase | 18077363 |
| Unchecked | IC50 | = | 8600.0 | nM | 5.07 | Inhibition of PKA | 18077363 |
| Myosin light chain kinase, smooth muscle | IC50 | = | 17800.0 | nM | 4.75 | Inhibition of myosin light chain kinase | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Unchecked | 3 |
| 18077363 | 10.1073/pnas.0708800104 | Myosin light chain kinase, smooth muscle | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Protein kinase C epsilon type | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Protein kinase C (PKC) | 1 |
Data from ChEMBL 36 via Core Engine