Compound Detail
CHEMBL4284524
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Basic Information
| ChEMBL ID | CHEMBL4284524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRXIUWDFOIRCIZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
3.90
ALogP
2
HBA
4
HBD
80.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| Protein kinase C alpha type CHEMBL299 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of ROCK2 (unknown origin) by HTRF assay | 29558119 |
| Mitogen-activated protein kinase kinase kinase 5 | IC50 | = | 740.0 | nM | 6.13 | Inhibition of ASK1 (unknown origin) by HTRF assay | 29558119 |
| Protein kinase C alpha type | IC50 | = | 980.0 | nM | 6.01 | Inhibition of PKCalpha (unknown origin) by HTRF assay | 29558119 |
| PC-3 | IC50 | = | 8000.0 | nM | 5.1 | Cytotoxicity against human PC3 cells after 72 hrs by SRB assay | 29558119 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33100009 | 10.1021/acs.jmedchem.0c01271 | Protein kinase C theta type | 2 |
| 29558119 | 10.1021/acs.jnatprod.7b01058 | Protein kinase C alpha type | 1 |
| 29558119 | 10.1021/acs.jnatprod.7b01058 | PC-3 | 1 |
| 29558119 | 10.1021/acs.jnatprod.7b01058 | Rho-associated protein kinase 2 | 1 |
| 29558119 | 10.1021/acs.jnatprod.7b01058 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine