Compound Detail
CHEMBL260118
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COC(=O)/C(C)=C\C[C@@]12OC(C)(C)C3C[C@@H](C=C4C(=O)c5c(OC)c6c(c(CC=C(C)C)c5O[C@]431)O[C@](C)(CCC=C(C)C)C=C6)C2=O
Basic Information
| ChEMBL ID | CHEMBL260118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFSCNWNADRUBLS-HRSUDHNQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
656.8
MW (Da)
7.63
ALogP
8
HBA
0
HBD
97.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 120.0 | nM | 6.92 | Suppression of staurosporine-initiated apoptosis in human T17 cells at 0.5 uM | 17911251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17911251 | 10.1073/pnas.0706662104 | Unchecked | 4 |
| 17911251 | 10.1073/pnas.0706662104 | High affinity nerve growth factor receptor | 1 |
| 17911251 | 10.1073/pnas.0706662104 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine