Compound Detail
CHEMBL4159813
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Basic Information
| ChEMBL ID | CHEMBL4159813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHUDBMMZTGBDJG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
3.46
ALogP
3
HBA
2
HBD
85.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| CREB-binding protein/Histone acetyltransferase p300 CHEMBL3883300 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CREB-binding protein/Histone acetyltransferase p300 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of p300/CBP (unknown origin) using biotinylated synthetic Histone H4 ... | 29348807 |
| Histone acetyltransferase p300 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of p300 HAT domain (unknown origin) using Biotin-C6-GRGKGGKGLGKGGAK a... | 28953875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29348807 | 10.1021/acsmedchemlett.7b00395 | CREB-binding protein/Histone acetyltransferase p300 | 1 |
| 28953875 | 10.1038/nature24028 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine