Compound Detail
CHEMBL446207
PESTALOFICIOL B Enter ChEMBL ID:
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CC1(C)CC(=O)C2=C(O1)[C@]1(C[C@@H]1C(C)(C)O)[C@@H](O)[C@@H](O)C2
Basic Information
| ChEMBL ID | CHEMBL446207 |
| Name | PESTALOFICIOL B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBYATBJSFPEGMT-QMABLASFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
0.91
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 26000.0 | nM | 4.58 | Antiviral activity against HIV1 in human C8116 cells assessed as reduction of p2... | 18468908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18468908 | 10.1016/j.bmc.2008.04.052 | Human immunodeficiency virus 1 | 1 |
| 18468908 | 10.1016/j.bmc.2008.04.052 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine