Compound Detail
CHEMBL1641968
CAMPHORATIN E Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)[C@@H]1CC3=O)C(C)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL1641968 |
| Name | CAMPHORATIN E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVWMQGAGJCMGQF-BBIVRDCWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
5.46
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | EC50 | 6.35 | 6.35 | 450.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | EC50 | = | 450.0 | nM | 6.35 | Cytotoxicity against human KB cells after 3 days by sulforhodamine B assay | 21028898 |
| NON-PROTEIN TARGET | EC50 | = | 2700.0 | nM | 5.57 | Cytotoxicity against human KBVIN cells after 3 days by sulforhodamine B assay | 21028898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21115251 | 10.1016/j.bmc.2010.10.032 | Daoy | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | MCF7 | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | HEp-2 | 1 |
| 21115251 | 10.1016/j.bmc.2010.10.032 | HeLa | 1 |
| 21028898 | 10.1021/np1002143 | KB | 1 |
| 21028898 | 10.1021/np1002143 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine