Compound Detail
CHEMBL254648
COCHINCHINENIN B Enter ChEMBL ID:
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COc1cc(OC)c(C(CCc2ccc(O)cc2OC)c2ccc(O)cc2)cc1CCC(=O)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL254648 |
| Name | COCHINCHINENIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFWXEYRQNKRQDH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
6.41
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prothrombin CHEMBL204 | IC50 | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prothrombin | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of human thrombin | 17883259 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17883259 | 10.1021/np070260v | Helicobacter pylori | 1 |
| 17883259 | 10.1021/np070260v | Prothrombin | 1 |
| 17883259 | 10.1021/np070260v | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine