Compound Detail
CHEMBL5557626
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12CC[C@H](OC(=O)CN)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(O)=CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5557626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASXKCYJHPPHIPL-KZVLABISSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
3.87
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 4.14 | 4.14 | 71560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 71560.0 | nM | 4.14 | Antiproliferative activity against mouse B16 cells measured after 48 hrs by MTT ... | 38467086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38467086 | 10.1016/j.ejmech.2024.116296 | B16 | 1 |
Data from ChEMBL 36 via Core Engine