Compound Detail
CHEMBL1201131
PIPERONYL BUTOXIDE 💊 Approved Drug
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
💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1201131 |
| Name | PIPERONYL BUTOXIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | FIPWRIJSWJWJAI-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
2
Targets
11
Activities
1
Assay Types
0
PK Parameters
9
Publications
4
Known Names
1
Mechanisms
Molecular Properties
338.4
MW (Da)
3.72
ALogP
5
HBA
0
HBD
46.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2000 |
| Availability | Discontinued |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cytochrome P450 inhibitor | INHIBITOR | Cytochrome P450 | ✓ | ✓ |
Activity Summary
IC50 11 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.52 | 5.52 | 3000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.2967 | 4700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 3000.0 | nM | 5.52 | null: A commercially available P450-GLO Assay kit (Promega Corporation, Madison ... | - |
| Cytochrome P450 3A4 | IC50 | = | 3000.0 | nM | 5.52 | In vitro CYP3A4 Inhibition Assay: Cytochrome P450 is a large and diverse group o... | - |
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of B-type Bemisia tabaci (sweet potato whitefly) esterase using 500 u... | 18951417 |
| Unchecked | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of B-type Bemisia tabaci (sweet potato whitefly) esterase using 500 u... | 18951417 |
| Unchecked | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of B-type Bemisia tabaci (sweet potato whitefly) esterase using 31.25... | 18951417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18951417 | 10.1002/ps.1661 | Unchecked | 8 |
| 19170251 | 10.1002/ps.1698 | Tetranychus urticae | 5 |
| 21656898 | 10.1002/ps.2211 | Unchecked | 4 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 926120 | 10.1021/jm00219a017 | Unchecked | 2 |
| 22847768 | 10.1002/ps.3372 | Frankliniella occidentalis | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine