Compound Detail
CHEMBL4642341
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CCCCn1cc(-c2cccc(C(F)(F)F)c2)c2sc(C(=N)NC3CCS(=O)(=O)CC3)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL4642341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOWLXLLMJZRLFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
525.6
MW (Da)
5.04
ALogP
6
HBA
2
HBD
92.0
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 9 CHEMBL3108640 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 9 | Ki | = | 10.0 | nM | 8.0 | Binding affinity to human partial length BRD9 (R130 to V259 residues) expressed ... | 32410449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32410449 | 10.1021/acs.jmedchem.0c00075 | Bromodomain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine