Compound Detail
CHEMBL4474369
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Basic Information
| ChEMBL ID | CHEMBL4474369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAENFZKMGPEDRU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.4
MW (Da)
3.44
ALogP
6
HBA
2
HBD
105.6
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 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.79 | 7.455 | 16.2 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 6.27 | 6.27 | 537.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 16.2 | nM | 7.79 | 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 | = | 76.6 | nM | 7.12 | Inhibition of SGRG-K(Ac)-GG-K(Ac)-GLG-K(Ac)-GGA-K(Ac)-RHRKVGG-K-Biotin binding t... | 32208600 |
| MV4-11 | IC50 | = | 537.0 | nM | 6.27 | Antiproliferative activity against human MV4-11 cells assessed as reduction in c... | 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 | MV4-11 | 1 |
| 32208600 | 10.1021/acs.jmedchem.9b01784 | Histone acetyltransferase p300 | 1 |
Data from ChEMBL 36 via Core Engine