Compound Detail
CHEMBL52128
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Basic Information
| ChEMBL ID | CHEMBL52128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTAUCQCZXBJXPD-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.4
MW (Da)
2.82
ALogP
5
HBA
2
HBD
82.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 7.1 | 6.805 | 80.0 | 2 |
| Protein kinase C gamma type CHEMBL3604 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL3390 | IC50 | 5.47 | 5.16 | 3400.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 80.0 | nM | 7.1 | Inhibition of rat brain protein kinase C(PKC) in 1%DMSO. | 1732526 |
| Protein kinase C gamma type | IC50 | = | 310.0 | nM | 6.51 | Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrate... | 1732526 |
| Protein kinase C (PKC) | IC50 | = | 310.0 | nM | 6.51 | Inhibition of rat brain protein kinase C(PKC) in 10%DMSO. | 1732526 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of rat brain protein kinase A(PKA) in 1%DMSO | 1732526 |
| cAMP-dependent protein kinase catalytic subunit alpha | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of rat brain protein kinase A(PKA) in 10%DMSO | 1732526 |
| Unchecked | IC50 | = | 14500.0 | nM | 4.84 | Inhibition of bovine cAMP-dependent protein kinase A. | 1732526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1732526 | 10.1021/jm00079a024 | Unchecked | 2 |
| 1732526 | 10.1021/jm00079a024 | Protein kinase C (PKC) | 2 |
| 1732526 | 10.1021/jm00079a024 | cAMP-dependent protein kinase catalytic subunit alpha | 2 |
| 1732526 | 10.1021/jm00079a024 | Protein kinase C gamma type | 1 |
Data from ChEMBL 36 via Core Engine