Compound Detail
CHEMBL5824622
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Cc1nnc(C[C@@H]2C=C(c3ccc(Cl)cc3)c3cc(OC(F)(F)F)ccc3-n3c(C)nnc32)o1
Basic Information
| ChEMBL ID | CHEMBL5824622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSLHVCIBXSNLFR-HNNXBMFYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.9
MW (Da)
5.59
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 90.0 | nM | 7.05 | Time-Resolved Fluorescence Resonance energy Transfer (TR-FRET) Assay: For this p... | - |
Data from ChEMBL 36 via Core Engine