Compound Detail
CHEMBL5286138
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
CC/C=C/C=C/[C@@]1(C)OC(C[C@H](C)[C@]2(C)C(=O)[C@]3(C)C(C)=C[C@H]4[C@]5(C=O)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]4(C)[C@]3(C(=O)OC)C2=O)=C(C(=O)OC)C1=O
Basic Information
| ChEMBL ID | CHEMBL5286138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPRUCLFQELTKPQ-LFFMKDHVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
762.9
MW (Da)
6.57
ALogP
11
HBA
0
HBD
156.4
PSA (Ų)
0.05
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Splenocyte CHEMBL612422 | EC50 | 5.07 | 5.07 | 8500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Splenocyte | EC50 | = | 8500.0 | nM | 5.07 | Immunosuppressive activity in BALB/c mouse splenocyte assessed as reduction in C... | 36596229 |
| Splenocyte | EC50 | = | 8500.0 | nM | 5.07 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as reduction in ... | 36596229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36596229 | 10.1021/acs.jnatprod.2c00766 | Splenocyte | 3 |
| 36596229 | 10.1021/acs.jnatprod.2c00766 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine