Compound Detail
CHEMBL38714
PROCYANIDIN B2 Enter ChEMBL ID:
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Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
Basic Information
| ChEMBL ID | CHEMBL38714 |
| Name | PROCYANIDIN B2 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFZJEEAOWLFHDH-NFJBMHMQSA-N |
4
Targets
6
Activities
1
Assay Types
2
PK Parameters
20
Publications
0
Known Names
Molecular Properties
578.5
MW (Da)
3.00
ALogP
12
HBA
10
HBD
220.8
PSA (Ų)
0.16
QED
3
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.1433 | 3800.0 | 3 |
| Alpha-synuclein CHEMBL6152 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
| Molecular identity unknown CHEMBL612546 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 160.0 | nM | Mus musculus |
| Ka | 8.2 | /M | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of NADPH oxidase in Homo sapiens (human) HUVEC cells | - |
| Alpha-synuclein | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of human alpha-synuclein filament formation expressed in Escherichia ... | 30743095 |
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of lipid peroxidation in Sprague-Dawley rat heart mitochondria assess... | 7494143 |
| NON-PROTEIN TARGET | IC50 | = | 10500.0 | nM | 4.98 | Antioxidant activity assessed as superoxide radical anion scavenging activity | 10425115 |
| Unchecked | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of lipid peroxidation in Sprague-Dawley rat heart mitochondria assess... | 7494143 |
| Molecular identity unknown | IC50 | = | 58000.0 | nM | 4.24 | Modulation of classical complement pathway system assessed as hemoglobin release... | 10425115 |
Literature References
Data from ChEMBL 36 via Core Engine