Compound Detail
CHEMBL3774884
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
C=C(C)[C@@H](/C=C/C(C)C)C[C@@]12C[C@@H](/C=C\C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O
Basic Information
| ChEMBL ID | CHEMBL3774884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKPJJVWRZUAEMI-SBKXAVDDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
602.8
MW (Da)
8.63
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of full length recombinant human FLAG-tagged PCAF expressed in baculo... | 26701186 |
| Histone acetyltransferase p300 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of full length recombinant human His6-tagged p300 expressed in baculo... | 26701186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26701186 | 10.1021/acs.jmedchem.5b01502 | Histone acetyltransferase p300 | 1 |
| 26701186 | 10.1021/acs.jmedchem.5b01502 | Histone acetyltransferase KAT2B | 1 |
Data from ChEMBL 36 via Core Engine