Compound Detail
CHEMBL260412
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CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4CC1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4O)C3=O
Basic Information
| ChEMBL ID | CHEMBL260412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZXLWEWYBUGLJA-SAABBMRESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
630.8
MW (Da)
7.03
ALogP
7
HBA
3
HBD
122.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 200.0 | nM | 6.7 | 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 | PC-12 | 1 |
| 17911251 | 10.1073/pnas.0706662104 | High affinity nerve growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine