Compound Detail
CHEMBL1234797
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Basic Information
| ChEMBL ID | CHEMBL1234797 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVGDDEYVTBKACE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
1.36
ALogP
4
HBA
2
HBD
81.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
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 | 5.275 | 5000.0 | 2 |
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 PCAF bromodomain (719 to 832 amino acid residues) (unknown origin)... | - |
| Histone acetyltransferase KAT2B | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of PCAF bromodomain (unknown origin)-HIV-Tak50ac interaction | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.1039/C1MD00201E | Histone acetyltransferase KAT2B | 1 |
| - | 10.1039/C5MD00209E | Histone acetyltransferase KAT2B | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine