Compound Detail
CHEMBL376388
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Basic Information
| ChEMBL ID | CHEMBL376388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRGSDHJXBVCQEL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
1.74
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 5.16 | 5.16 | 6900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of PKA by radiometric filter binding assay | 17451235 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of PKBbeta by radiometric filter binding assay | 17451235 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of PKBbeta recombinant by radiometric filter binding assay | 18345609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00308F | Tyrosine-protein kinase ABL1 | 4 |
| - | 10.1039/C3MD00308F | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| - | 10.1039/C3MD00308F | Fibroblast growth factor receptor 2 | 2 |
| - | 10.1039/C3MD00308F | cGMP-dependent protein kinase 1 | 2 |
| - | 10.1039/C3MD00308F | Protein kinase C beta type | 2 |
| - | 10.1039/C3MD00308F | Unchecked | 2 |
| - | 10.1039/C3MD00308F | Protein kinase C alpha type | 1 |
| - | 10.1039/C3MD00308F | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| - | 10.1039/C3MD00308F | Casein kinase I isoform alpha | 1 |
| - | 10.1039/C3MD00308F | Rho-associated protein kinase 2 | 1 |
| - | 10.1039/C3MD00308F | RAC-alpha serine/threonine-protein kinase | 1 |
| - | 10.1039/C3MD00308F | Serine/threonine-protein kinase Sgk1 | 1 |
| - | 10.1039/C3MD00308F | Serine/threonine-protein kinase Sgk3 | 1 |
| - | 10.1039/C3MD00308F | Serine/threonine-protein kinase Sgk2 | 1 |
| - | 10.1039/C3MD00308F | Protein kinase C eta type | 1 |
| - | 10.1039/C3MD00308F | Protein kinase C zeta type | 1 |
| - | 10.1039/C3MD00308F | Protein kinase C delta type | 1 |
| - | 10.1039/C3MD00308F | Protein kinase C theta type | 1 |
| 18345609 | 10.1021/jm701437d | RAC-beta serine/threonine-protein kinase | 1 |
| 17451235 | 10.1021/jm0700924 | PC-3M | 1 |
Data from ChEMBL 36 via Core Engine