Compound Detail
CHEMBL487611
PINORESINOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL487611 |
| Name | PINORESINOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGXBRUKMWQGOIE-WZBLMQSHSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
3.19
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.99
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.99 | 4.99 | 10300.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.4 | 4.4 | 39500.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.3 | 4.3 | 49500.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.23 | 4.23 | 58600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 10300.0 | nM | 4.99 | Transactivation of PPAR expressed in HepG2 cells after 20 hrs by luminescence as... | 22381047 |
| RAW264.7 | IC50 | = | 39500.0 | nM | 4.4 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells after 24 hrs by ... | 24963714 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 49500.0 | nM | 4.3 | Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs... | 22381047 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 58600.0 | nM | 4.23 | Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hr... | 22381047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28218000 | 10.1021/acs.jnatprod.6b01141 | Neutrophil | 4 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Unchecked | 2 |
| 24963714 | 10.1021/np400831p | RAW264.7 | 2 |
| 26483135 | 10.1016/j.bmcl.2015.10.020 | RAW264.7 | 2 |
| 3379414 | 10.1021/np50056a018 | Artemia | 1 |
| 3379414 | 10.1021/np50056a018 | NON-PROTEIN TARGET | 1 |
| 3379414 | 10.1021/np50056a018 | Agrobacterium tumefaciens | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine