Compound Detail
CHEMBL4466659
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Cc1cc(-c2cc(S(=O)(=O)N(C)C)ccc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12
Basic Information
| ChEMBL ID | CHEMBL4466659 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLJKSGJUPKVYRB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
3.92
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.15 | 6.85 | 71.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 71.3 | nM | 7.15 | 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 | = | 198.0 | nM | 6.7 | 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 | = | 198.0 | nM | 6.7 | Inhibitory Activity Assay of BRD4 Small Molecule Compounds: AlphaScreen kit (Per... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32208600 | 10.1021/acs.jmedchem.9b01784 | Bromodomain-containing protein 4 | 3 |
| 32208600 | 10.1021/acs.jmedchem.9b01784 | MV4-11 | 1 |
| 32208600 | 10.1021/acs.jmedchem.9b01784 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine