Compound Detail
CHEMBL509596
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
COCCOCCN1C[C@@H](C)C[C@H]2O[C@]3(CC[C@@H]4C(=C(C)C3)C[C@H]3[C@H]4CCC4=CC(=O)CC[C@@]43C)[C@H](C)[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL509596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJIKCRUJUCRYLQ-IKVFWTAASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.8
MW (Da)
5.98
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Molecular identity unknown CHEMBL612546 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Molecular identity unknown | EC50 | = | 400.0 | nM | 6.4 | Inhibition of Hedgehog pathway-dependent oxysterol-induced mouse C3 H10T1/2 cell... | 18842035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18842035 | 10.1021/jm8008508 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine