Compound Detail
CHEMBL4528495
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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)c1ccc3ccccc3c1)[C@H](C)CCCCCC[C@H]5O)O2
Basic Information
| ChEMBL ID | CHEMBL4528495 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIESIZQAHOPEBR-FSKLVYKOSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
825.0
MW (Da)
5.48
ALogP
12
HBA
4
HBD
173.7
PSA (Ų)
0.13
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 26.17 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 0.15 | nM | 9.82 | Agonist activity at Protein kinase C in human MT4 cells infected with HIV-1 NL4-... | 31343875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31343875 | 10.1021/acs.jmedchem.9b00339 | Protein kinase C (PKC) | 1 |
| 31343875 | 10.1021/acs.jmedchem.9b00339 | ADMET | 1 |
| 31343875 | 10.1021/acs.jmedchem.9b00339 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine