Compound Detail
CHEMBL5191397
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CC1(C)CCC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)C5=C(COC5=O)[C@@H](O)C[C@H]4[C@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5191397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JATZQTKLRUQDOB-VYXBSXJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
4.24
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L5178Y CHEMBL614720 | IC50 | 8.12 | 8.12 | 7.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L5178Y | IC50 | = | 7.5 | nM | 8.12 | Anticancer activity against mouse L5178Y cells assessed as reduction in cell gro... | 33940466 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33940466 | 10.1016/j.ejmech.2021.113491 | L5178Y | 3 |
Data from ChEMBL 36 via Core Engine