Compound Detail
CHEMBL5952972
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Cc1nnn(C)c1-c1cnc2c3[nH]nc(C(C)(C)O)c3n([C@H](c3ncccc3F)C3CCOCC3)c2c1
Basic Information
| ChEMBL ID | CHEMBL5952972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQKXXLQBDVEKEQ-QHCPKHFHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
3.79
ALogP
9
HBA
2
HBD
119.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 0.4 | nM | 9.4 | Binding Assay: Briefly, 20 nL of compounds were transferred to the 384-well plat... | - |
Data from ChEMBL 36 via Core Engine