Compound Detail
CHEMBL2011540
PIPERITOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2011540 |
| Name | PIPERITOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBIRCRCPHNUJAS-NSMLZSOPSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.20
ALogP
6
HBA
1
HBD
66.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.72
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.72 | 4.72 | 18900.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.68 | 4.68 | 20900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.49 | 4.49 | 32650.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.47 | 4.47 | 33900.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 4.27 | 4.27 | 53200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 18900.0 | nM | 4.72 | Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hr... | 22381047 |
| Unchecked | EC50 | = | 20900.0 | nM | 4.68 | Transactivation of PPAR expressed in HepG2 cells after 20 hrs by luminescence as... | 22381047 |
| NON-PROTEIN TARGET | IC50 | = | 32650.0 | nM | 4.49 | Antineuroinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-... | 26774654 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 33900.0 | nM | 4.47 | Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs... | 22381047 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 53200.0 | nM | 4.27 | Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hr... | 22381047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Unchecked | 2 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Peroxisome proliferator-activated receptor delta | 1 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | HepG2 | 1 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Peroxisome proliferator-activated receptor alpha | 1 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Peroxisome proliferator-activated receptor gamma | 1 |
| 26774654 | 10.1016/j.bmcl.2016.01.008 | ADMET | 1 |
| 26774654 | 10.1016/j.bmcl.2016.01.008 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine