Compound Detail
CHEMBL140600
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C[C@@]12O[C@@H](C[C@@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O
Basic Information
| ChEMBL ID | CHEMBL140600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMSOPBXQXSAAAC-RBWOYHBQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
3.57
ALogP
6
HBA
3
HBD
105.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 38.0 | nM | 7.42 | 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