Compound Detail
CHEMBL5075239
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CCc1cc(C)cc(Oc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)ncn3[C@H]3CCNC3)n2)c1
Basic Information
| ChEMBL ID | CHEMBL5075239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKDGTWXKBUNDFQ-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
6.22
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of BRD4 D1 (unknown origin) by competitive fluorescence anisotropy as... | 35007061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35007061 | 10.1021/acs.jmedchem.1c01779 | Bromodomain-containing protein 4 | 1 |
| 35007061 | 10.1021/acs.jmedchem.1c01779 | Bromodomain testis-specific protein | 1 |
| 35007061 | 10.1021/acs.jmedchem.1c01779 | Bromodomain-containing protein 2 | 1 |
Data from ChEMBL 36 via Core Engine