Compound Detail
CHEMBL123624
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Basic Information
| ChEMBL ID | CHEMBL123624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUCDFXVDGUXPMJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
3.08
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) CHEMBL2111429 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) | IC50 | = | 560.0 | nM | 6.25 | Inhibitory activity against histone deacetylase (HDAC1 and HDAC2) isolated from ... | 14552787 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552787 | 10.1016/j.bmcl.2003.07.012 | Histone deacetylase (HDAC1 and HDAC2) | 1 |
| 14741273 | 10.1016/j.bmcl.2003.11.062 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine