Compound Detail
CHEMBL1081525
PESTALOFICIOL K Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1081525 |
| Name | PESTALOFICIOL K |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTTPZQOJHOFBGM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.98
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.11
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.11 | 4.11 | 78200.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.0 | 4.0 | 99300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 78200.0 | nM | 4.11 | Antiviral activity against HIV1 infected human C8166 cells assessed as inhibitio... | 19618920 |
| HeLa | IC50 | = | 99300.0 | nM | 4.0 | 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 |
Data from ChEMBL 36 via Core Engine