Compound Detail
CHEMBL4587471
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C(C)[C@]12C[C@@H](COC(=O)c3ccccc3)[C@@]34OC5(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@@]1(O)[C@H]4[C@H]([C@H](C)[C@@H]1OC(=O)c1ccncc1)[C@H](C)CCCCCC[C@H]5O)O2
Basic Information
| ChEMBL ID | CHEMBL4587471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVRRZOFLLJAMIK-JATSJDAYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
775.9
MW (Da)
3.72
ALogP
13
HBA
4
HBD
186.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.26
IC50 1 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 9.44 | 9.44 | 0.4 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | EC50 | 9.26 | 9.26 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 0.36 | nM | 9.44 | Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-... | 31343875 |
| Protein kinase C (PKC) | EC50 | = | 0.55 | nM | 9.26 | Agonist activity at Protein kinase C in human U1 cells infected with HIV-1 NL4-3... | 31343875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31343875 | 10.1021/acs.jmedchem.9b00339 | Protein kinase C (PKC) | 2 |
| 31343875 | 10.1021/acs.jmedchem.9b00339 | MT4 | 1 |
| 31343875 | 10.1021/acs.jmedchem.9b00339 | Protein kinase C beta type | 1 |
Data from ChEMBL 36 via Core Engine