Compound Detail
CHEMBL465422
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C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@H]1CC(=O)[C@@H](C)[C@H]21
Basic Information
| ChEMBL ID | CHEMBL465422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWMHVPGJPQEKFZ-IGRWEYARSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
1.55
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WI-38 CHEMBL614391 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WI-38 | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against human WI38 cells | 17067155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17067155 | 10.1021/np068015j | WI-38 | 1 |
| 17067155 | 10.1021/np068015j | WI-38 VA13 | 1 |
| 17067155 | 10.1021/np068015j | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine