Compound Detail
CHEMBL5594334
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CC(C)=CCC[C@]1(C)[C@H]2[C@@H]3[C@H](C)CC[C@H]3[C@](C)(O)CC[C@H]21
Basic Information
| ChEMBL ID | CHEMBL5594334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXLAZTKWIUBTOX-AIFSHUDHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.5
MW (Da)
5.19
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.71
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 8900.0 | nM | 5.05 | Antiproliferative activity against human A549 cells assessed as reduction in cel... | 38970504 |
| KB | IC50 | = | 8900.0 | nM | 5.05 | Antiproliferative activity against human KB cells assessed as reduction in cell ... | 38970504 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38970504 | 10.1021/acs.jnatprod.4c00313 | A549 | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | MDA-MB-231 | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | MCF7 | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | KB | 1 |
| 38970504 | 10.1021/acs.jnatprod.4c00313 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine