Compound Detail
CHEMBL423731
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CO[C@H]1[C@@H](O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
Basic Information
| ChEMBL ID | CHEMBL423731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSJFVOAURBIGTC-SFDUFSHASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
4.13
ALogP
6
HBA
2
HBD
77.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of protein kinase C | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80167-5 | Protein kinase C (PKC) | 1 |
| - | 10.1016/S0960-894X(00)80167-5 | cAMP-dependent protein kinase (PKA) | 1 |
Data from ChEMBL 36 via Core Engine