Compound Detail
CHEMBL268769
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Basic Information
| ChEMBL ID | CHEMBL268769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHOOZDLAJIKMBZ-UHFFFAOYSA-N |
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.65
ALogP
5
HBA
1
HBD
59.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.4 | 5.495 | 40.0 | 4 |
| Protein kinase C (PKC) CHEMBL2094266 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Protein kinase C alpha | 12672248 |
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Inhibition of bovine brain PKC in presence of [p32-gamma]-ATP measured after 10 ... | 1874734 |
| Protein kinase C (PKC) | IC50 | = | 45.0 | nM | 7.35 | Inhibition of protein kinase C (PKC) in rat brain | 1552513 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human recombinant Pim1 expressed in insect cells by HTRF | 19179076 |
| Unchecked | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of Phosphorylase kinase in rabbit muscle tissue in presence of [p32-g... | 1874734 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 3500.0 | nM | 5.46 | Inhibition of PKA (unknown origin) | 1874734 |
| Unchecked | IC50 | = | 25600.0 | nM | 4.59 | Inhibition of c-AMP dependent protein kinase A (PKA) in bovine heart | 1552513 |
| Unchecked | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of beta-lactamase from Escherichia coli | 12672248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12672248 | 10.1021/jm020427b | Unchecked | 2 |
| 12672248 | 10.1021/jm020427b | Beta-lactamase | 2 |
| 1874734 | 10.1016/s0021-9258(18)98476-0 | Unchecked | 2 |
| 1552513 | 10.1021/jm00084a004 | Protein kinase C (PKC) | 1 |
| 1552513 | 10.1021/jm00084a004 | Unchecked | 1 |
| 12672248 | 10.1021/jm020427b | Protein kinase C alpha type | 1 |
| 12672248 | 10.1021/jm020427b | Chymotrypsinogen B | 1 |
| 12672248 | 10.1021/jm020427b | Malate dehydrogenase | 1 |
| 19179076 | 10.1016/j.bmcl.2009.01.005 | Serine/threonine-protein kinase pim-1 | 1 |
| 1874734 | 10.1016/s0021-9258(18)98476-0 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine