Compound Detail
CHEMBL3770716
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CC(C)n1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL3770716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXOSYHIAUKYCPF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
4.82
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of BRD9 (unknown origin) incubated in dark for 30 mins by TR-FRET ass... | 25856009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25856009 | 10.1021/acs.jmedchem.5b00256 | Bromodomain-containing protein 9 | 1 |
| 25856009 | 10.1021/acs.jmedchem.5b00256 | Bromodomain-containing protein 4 | 1 |
| 25856009 | 10.1021/acs.jmedchem.5b00256 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine