Compound Detail
CHEMBL290632
PROCYANIDIN C1 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)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
Basic Information
| ChEMBL ID | CHEMBL290632 |
| Name | PROCYANIDIN C1 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOJZMWJRUKIQGL-XILRTYJMSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
866.8
MW (Da)
4.44
ALogP
18
HBA
15
HBD
331.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | IC50 | 5.22 | 4.645 | 6000.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.5 | 4.5 | 31400.0 | 1 |
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 4.27 | 4.27 | 53200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | IC50 | = | 6000.0 | nM | 5.22 | Modulation of classical complement pathway system assessed as hemoglobin release... | 10425115 |
| NON-PROTEIN TARGET | IC50 | = | 10700.0 | nM | 4.97 | Antioxidant activity assessed as superoxide radical anion scavenging activity | 10425115 |
| Unchecked | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of collagenase type 4 after 30 mins by fluorescence plate reader | 20053563 |
| 72 kDa type IV collagenase | IC50 | = | 31400.0 | nM | 4.5 | Inhibition of human rheumatoid synovial fibroblasts gelatinase A after 30 mins b... | 20053563 |
| Protein kinase C (PKC) | IC50 | = | 40000.0 | nM | 4.4 | Inhibitory activity against protein kinase C (PKC) | - |
| Matrix metalloproteinase-9 | IC50 | = | 53200.0 | nM | 4.27 | Inhibition of human neutrophils gelatinase B after 30 mins by fluorescence plate... | 20053563 |
| Molecular identity unknown | IC50 | = | 85500.0 | nM | 4.07 | Modulation of alternative complement pathway system assessed as hemoglobin relea... | 10425115 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28368593 | 10.1021/acs.jnatprod.6b00915 | Lactoperoxidase | 3 |
| 24749980 | 10.1021/np400781y | Escherichia coli | 3 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus 1 | 3 |
| 10425115 | 10.1021/np980481o | Molecular identity unknown | 2 |
| 10425115 | 10.1021/np980481o | Streptococcus pyogenes | 2 |
| 19944611 | 10.1016/j.bmc.2009.11.015 | No relevant target | 2 |
| 10425115 | 10.1021/np980481o | Candida albicans | 2 |
| 25599949 | 10.1016/j.ejmech.2015.01.026 | No relevant target | 2 |
| 10425115 | 10.1021/np980481o | Staphylococcus aureus | 2 |
| 10425115 | 10.1021/np980481o | Mycolicibacterium fortuitum | 2 |
| 10425115 | 10.1021/np980481o | Escherichia coli | 2 |
| 10425115 | 10.1021/np980481o | Pseudomonas aeruginosa | 2 |
| 10425115 | 10.1021/np980481o | Salmonella paratyphi | 2 |
| 10425115 | 10.1021/np980481o | Enterobacter cloacae | 2 |
| 1431932 | 10.1021/np50086a002 | NON-PROTEIN TARGET | 1 |
| 1431932 | 10.1021/np50086a002 | A549 | 1 |
| 1431932 | 10.1021/np50086a002 | HCT-8 | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Unchecked | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Protein kinase C, PKC; classical/novel | 1 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine