Compound Detail
CHEMBL345100
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CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](C)[C@H](C)[C@@H]3S
Basic Information
| ChEMBL ID | CHEMBL345100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLDHRKWONIFCQR-OABGYEMISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.32
ALogP
5
HBA
1
HBD
48.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | EC50 | = | 8400.0 | nM | 5.08 | Using the XTT assay for cell viability, effective concentration to protect human... | 8893846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8893846 | 10.1021/jm9602827 | CEM-SS | 2 |
| 8893846 | 10.1021/jm9602827 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine