Compound Detail
CHEMBL5191875
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CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccc(F)c3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL5191875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWUNAYRNISPLQE-MYDTUXCISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.5
MW (Da)
2.17
ALogP
8
HBA
3
HBD
131.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 3B CHEMBL3784906 | Kd | 4.79 | 4.79 | 16300.0 | 1 |
| Probable JmjC domain-containing histone demethylation protein 2C CHEMBL3792271 | Kd | 4.57 | 4.57 | 26700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 3B | Kd | = | 16300.0 | nM | 4.79 | Binding affinity to CM7 sensor chip immobilized full-length KDM3B (unknown origi... | 35101649 |
| Probable JmjC domain-containing histone demethylation protein 2C | Kd | = | 26700.0 | nM | 4.57 | Binding affinity to CM7 sensor chip immobilized partial-length JMJD1C (2274 to 2... | 35101649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35101649 | 10.1016/j.ejmech.2022.114143 | Probable JmjC domain-containing histone demethylation protein 2C | 1 |
| 35101649 | 10.1016/j.ejmech.2022.114143 | Lysine-specific demethylase 3B | 1 |
Data from ChEMBL 36 via Core Engine