Compound Detail
CHEMBL1778821
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CCCCCCCCCCCCO[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL1778821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MORMTPCBNIXJAR-DLAUHDCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
901.1
MW (Da)
7.08
ALogP
15
HBA
1
HBD
196.5
PSA (Ų)
0.05
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | Ki | 5.63 | 5.63 | 2340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | Ki | = | 2340.0 | nM | 5.63 | Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid... | 21596562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21596562 | 10.1016/j.bmcl.2011.04.108 | Protein kinase C alpha type | 2 |
Data from ChEMBL 36 via Core Engine