Compound Detail
CHEMBL5289661
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
COC(=O)[C@@]12C(=O)[C@](C)(C(=O)c3cc(OC)c(O)c(O)c3C(C)=O)C(=O)[C@]1(C)C(C)=C[C@H]1[C@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL5289661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKHCERPAGVUNBN-PQSWCRNISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
680.8
MW (Da)
5.57
ALogP
11
HBA
2
HBD
170.6
PSA (Ų)
0.13
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Splenocyte CHEMBL612422 | EC50 | 5.06 | 5.01 | 8800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Splenocyte | EC50 | = | 8800.0 | nM | 5.06 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as reduction in ... | 36596229 |
| Splenocyte | EC50 | = | 11000.0 | nM | 4.96 | Immunosuppressive activity in BALB/c mouse splenocyte assessed as reduction in C... | 36596229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36596229 | 10.1021/acs.jnatprod.2c00766 | Splenocyte | 3 |
| 36596229 | 10.1021/acs.jnatprod.2c00766 | Unchecked | 2 |
| 36596229 | 10.1021/acs.jnatprod.2c00766 | HCT-116 | 1 |
| 36596229 | 10.1021/acs.jnatprod.2c00766 | HT-29 | 1 |
| 36596229 | 10.1021/acs.jnatprod.2c00766 | A549 | 1 |
| 36596229 | 10.1021/acs.jnatprod.2c00766 | MCF7 | 1 |
| 36596229 | 10.1021/acs.jnatprod.2c00766 | HeLa | 1 |
| 36596229 | 10.1021/acs.jnatprod.2c00766 | L02 | 1 |
Data from ChEMBL 36 via Core Engine