Compound Detail
CHEMBL4115540
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CC1=C[C@]23C(=O)[C@@H](C=C(CO)C[C@]2(O)[C@H]1OC(=O)C1(C)CCCCC1)[C@H]1[C@@H](C[C@H]3C)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL4115540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSYPVMLJRHZFFX-DTPHZIEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
4.37
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | EC50 | 9.1 | 9.1 | 0.8 | 1 |
| Protein kinase C delta type CHEMBL2996 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | EC50 | = | 0.8 | nM | 9.1 | Binding Assay: On the day at experiment Human Protein Kinase C betaII (PKCbII, M... | - |
| Protein kinase C delta type | EC50 | = | 80.0 | nM | 7.1 | Binding Assay: On the day at experiment Human Protein Kinase C delta (PKCδ, Mill... | - |
Data from ChEMBL 36 via Core Engine