Compound Detail
CHEMBL502089
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
COc1cc(C(=O)C2=C3OC(C)(C)[C@@H](CC=C(C)C)C[C@@]34C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C2=O)C4=O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL502089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMXJENAJTXOUOJ-OAKZDBKWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
616.8
MW (Da)
8.89
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of recombinant p300 (unknown origin) expressed in baculovirus express... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12608850 | 10.1021/np020372g | Unchecked | 4 |
| 12608850 | 10.1021/np020372g | Raji | 4 |
| 12608850 | 10.1021/np020372g | Radical scavenging activity | 1 |
| - | 10.1039/C1MD00199J | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine