Compound Detail
CHEMBL517524
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
CC1=C(O)C(=O)C[C@@H]2[C@@]3(C)CC[C@](C)(C(=O)O)C[C@@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL517524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPHDABIHBXFBNX-KRJMWWHISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.10
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell line CHEMBL614724 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.47 | 3410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell line | IC50 | = | 3050.0 | nM | 5.52 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as reduction in ... | 35678710 |
| Unchecked | IC50 | = | 3410.0 | nM | 5.47 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as reduction in ... | 35678710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16562829 | 10.1021/np058083q | KB | 3 |
| 35678710 | 10.1021/acs.jnatprod.2c00204 | ADMET | 2 |
| 16562829 | 10.1021/np058083q | NON-PROTEIN TARGET | 1 |
| 16562829 | 10.1021/np058083q | Lu1 | 1 |
| 16562829 | 10.1021/np058083q | Col2 | 1 |
| 16562829 | 10.1021/np058083q | LNCaP | 1 |
| 16562829 | 10.1021/np058083q | SW626 | 1 |
| 16562829 | 10.1021/np058083q | SK-N-SH | 1 |
| 35678710 | 10.1021/acs.jnatprod.2c00204 | Unchecked | 1 |
| 35678710 | 10.1021/acs.jnatprod.2c00204 | Splenocyte | 1 |
| 35678710 | 10.1021/acs.jnatprod.2c00204 | B-cell line | 1 |
Data from ChEMBL 36 via Core Engine