Compound Detail
CHEMBL4071723
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C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(C)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL4071723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQOWJJGOQJONCI-MZRDIQIISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.36
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.37 | 6.37 | 425.6 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | EC50 | 5.3 | 5.3 | 5040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 425.6 | nM | 6.37 | Antiviral activity against Human immunodeficiency virus 1 NL4-3 infected in huma... | 30031972 |
| Protein kinase C (PKC) | EC50 | = | 5040.0 | nM | 5.3 | Activation of PKC in human platelet assessed as induction of platelet aggregatio... | 27731641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27731641 | 10.1021/acs.jnatprod.6b00603 | Protein kinase C (PKC) | 27 |
| 27731641 | 10.1021/acs.jnatprod.6b00603 | Protein kinase C alpha type | 1 |
| 27731641 | 10.1021/acs.jnatprod.6b00603 | Protein kinase C beta type | 1 |
| 27731641 | 10.1021/acs.jnatprod.6b00603 | Protein kinase C delta type | 1 |
| 27731641 | 10.1021/acs.jnatprod.6b00603 | Protein kinase C theta type | 1 |
| 30031972 | 10.1016/j.ejmech.2018.07.020 | Human immunodeficiency virus 1 | 1 |
| 30031972 | 10.1016/j.ejmech.2018.07.020 | MT4 | 1 |
| 30031972 | 10.1016/j.ejmech.2018.07.020 | Unchecked | 1 |
| 34665635 | 10.1021/acs.jnatprod.1c00654 | HeLa | 1 |
| 34665635 | 10.1021/acs.jnatprod.1c00654 | SK-MEL-28 | 1 |
| 34665635 | 10.1021/acs.jnatprod.1c00654 | HepG2 | 1 |
| 34665635 | 10.1021/acs.jnatprod.1c00654 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine