Compound Detail
CHEMBL3926213
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CC1=C[C@@]23CC[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OC(=O)C1(C)CCCCC1)C3=O)C4(C)C
Basic Information
| ChEMBL ID | CHEMBL3926213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZUOGYWEVBTEEN-GEWCVNITSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.09
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C beta type CHEMBL3045 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Protein kinase C delta type CHEMBL2996 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C beta type | EC50 | = | 0.1 | nM | 10.0 | Binding Assay: On the day at experiment Human Protein Kinase C betaII (PKCbII, M... | - |
| Protein kinase C delta type | EC50 | = | 7.0 | nM | 8.15 | Binding Assay: On the day at experiment Human Protein Kinase C delta (PKCδ, Mill... | - |
Data from ChEMBL 36 via Core Engine