Compound Detail
CHEMBL4752565
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=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)NCc4ccccc4)CC[C@]3(C)CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4752565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEXSHDSVCZQLCO-WFVGHVPHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.8
MW (Da)
7.93
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.41
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.44 | 6.44 | 362.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 362.0 | nM | 6.44 | Antiproliferative activity against Con A-induced BALB/c mouse T cell after 48 hr... | 32822186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32822186 | 10.1021/acs.jnatprod.0c00067 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine