Compound Detail
CHEMBL1641970
CAMPHORATIN G Enter ChEMBL ID:
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C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@H]3O)C(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1641970 |
| Name | CAMPHORATIN G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWISSXUWVGIUBP-LQIJOPIVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.37
ALogP
4
HBA
2
HBD
91.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | EC50 | = | 15000.0 | nM | 4.82 | Cytotoxicity against human KB cells after 3 days by sulforhodamine B assay | 21028898 |
| NON-PROTEIN TARGET | EC50 | = | 17500.0 | nM | 4.76 | Cytotoxicity against human KBVIN cells after 3 days by sulforhodamine B assay | 21028898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21028898 | 10.1021/np1002143 | KB | 1 |
| 21028898 | 10.1021/np1002143 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine