Compound Detail
CHEMBL5556940
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CC(C)[C@H](NC(=O)CN)C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(O)=CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL5556940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVMRZLATQPPBMY-VDTXGSSASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
4.01
ALogP
5
HBA
3
HBD
101.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 4.78 | 4.78 | 16540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 16540.0 | nM | 4.78 | 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