Compound Detail
CHEMBL4470170
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Basic Information
| ChEMBL ID | CHEMBL4470170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMNSIJZDHIWZCU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
3.37
ALogP
5
HBA
2
HBD
89.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.12 | 7.04 | 76.0 | 3 |
| Histone acetyltransferase p300 CHEMBL3784 | IC50 | 4.46 | 4.46 | 34700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 76.0 | nM | 7.12 | Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding t... | 32208600 |
| Bromodomain-containing protein 4 | IC50 | = | 76.9 | nM | 7.11 | Inhibitory Activity Assay of BRD4 Small Molecule Compounds: AlphaScreen kit (Per... | - |
| Bromodomain-containing protein 4 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding t... | 32208600 |
| Histone acetyltransferase p300 | IC50 | = | 34700.0 | nM | 4.46 | Inhibition of MSGRGK(Ac)-GGK(Ac)GLGK(Ac)GGAKRHR-biotin binding to EP300 (1040 to... | 32208600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32208600 | 10.1021/acs.jmedchem.9b01784 | Bromodomain-containing protein 4 | 3 |
| 32208600 | 10.1021/acs.jmedchem.9b01784 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine