Compound Detail
CHEMBL365598
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O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1ccc(C(=O)c2c(O)cccc2C(=O)O)cc1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL365598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFPFIAWWDTYSBZ-FYYLOGMGSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.5
MW (Da)
2.73
ALogP
8
HBA
5
HBD
162.3
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | Ki | 8.47 | 8.47 | 3.4 | 2 |
| Protein kinase C (PKC) CHEMBL2093867 | Ki | 7.1 | 7.1 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cAMP-dependent protein kinase (PKA) | Ki | = | 3.4 | nM | 8.47 | Inhibitory constant against the protein kinase A | 16134928 |
| cAMP-dependent protein kinase (PKA) | Ki | = | 3.4 | nM | 8.47 | Inhibitory constant against the protein kinase A | 16134928 |
| Protein kinase C (PKC) | Ki | = | 80.0 | nM | 7.1 | Inhibitory activity against protein kinase C | 16134928 |
| Protein kinase C (PKC) | Ki | = | 80.0 | nM | 7.1 | Inhibitory activity against protein kinase C | 16134928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134928 | 10.1021/jm050524f | cAMP-dependent protein kinase (PKA) | 2 |
| 16134928 | 10.1021/jm050524f | Protein kinase C (PKC) | 2 |
Data from ChEMBL 36 via Core Engine