Compound Detail
CHEMBL1080258
PESTALOFICIOL J 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
Basic Information
| ChEMBL ID | CHEMBL1080258 |
| Name | PESTALOFICIOL J |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQRXYQNCQPECMC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
3.64
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
IC50 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.67 | 4.67 | 21200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against HIV1 infected human C8166 cells assessed as inhibitio... | 19618920 |
| HeLa | IC50 | = | 21200.0 | nM | 4.67 | Cytotoxicity against human HeLa cells after 48 hrs by MTT assay | 19618920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19618920 | 10.1021/np900308s | Human immunodeficiency virus 1 | 1 |
| 19618920 | 10.1021/np900308s | HeLa | 1 |
| 19618920 | 10.1021/np900308s | MCF7 | 1 |
| 19618920 | 10.1021/np900308s | C8166 | 1 |
Data from ChEMBL 36 via Core Engine