Compound Detail
CHEMBL5405887
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CC(C)C1=NN(c2ccc(C(=O)O)cc2)C(=O)C1Cc1cc(C(=O)c2ccccc2[N+](=O)[O-])c[nH]1
Basic Information
| ChEMBL ID | CHEMBL5405887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPPGNUPHQUKJHF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
4.07
ALogP
6
HBA
2
HBD
146.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone acetyltransferase p300 | IC50 | = | 18500.0 | nM | 4.73 | Inhibition of recombinant human KAT3B (1287 to 1673 residues) using histone H3 p... | 37155735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37155735 | 10.1021/acs.jmedchem.2c01937 | Histone acetyltransferase KAT8 | 1 |
| 37155735 | 10.1021/acs.jmedchem.2c01937 | Histone acetyltransferase p300 | 1 |
| 37155735 | 10.1021/acs.jmedchem.2c01937 | Histone acetyltransferase KAT2B | 1 |
Data from ChEMBL 36 via Core Engine