Compound Detail
CHEMBL501034
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Basic Information
| ChEMBL ID | CHEMBL501034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNCDGOSPGVCRPQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
225.7
MW (Da)
2.86
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase KAT2B | IC50 | = | 19800.0 | nM | 4.7 | Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by fi... | 19101154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19101154 | 10.1016/j.bmc.2008.11.079 | Histone acetyltransferase KAT2B | 1 |
Data from ChEMBL 36 via Core Engine