Compound Detail
CHEMBL384099
CINNABARAMIDE A Enter ChEMBL ID:
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CCCCCC[C@H]1C(=O)N[C@@]2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL384099 |
| Name | CINNABARAMIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAZLTNBVAYOUNF-MUAMBBPCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
2.47
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 20S proteasome CHEMBL3831201 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 20S proteasome | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human 20S proteasome | 17249727 |
| PBMC | IC50 | = | 500.0 | nM | 6.3 | Inhibition of LPS-induced TNFalpha production in human PBMC | 17249727 |
| MDA-MB-231 | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human MDA-MB-231 cell line | 17249727 |
| NCI-H460 | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human H460 cell line | 17249727 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17249727 | 10.1021/np060162u | Trypsin | 1 |
| 17249727 | 10.1021/np060162u | HCT-116 | 1 |
| 17249727 | 10.1021/np060162u | Unchecked | 1 |
| 17249727 | 10.1021/np060162u | 20S proteasome | 1 |
| 17249727 | 10.1021/np060162u | No relevant target | 1 |
| 17249727 | 10.1021/np060162u | PBMC | 1 |
| 17249727 | 10.1021/np060162u | MDA-MB-231 | 1 |
| 17249727 | 10.1021/np060162u | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine