Compound Detail
CHEMBL115049
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Basic Information
| ChEMBL ID | CHEMBL115049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VREZMJDAPPMITK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.34
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) CHEMBL2111429 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) | IC50 | = | 3.7 | nM | 8.43 | Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone... | 12951120 |
| Histone deacetylase | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of HDAC from human K562 cells | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951120 | 10.1016/s0960-894x(03)00685-1 | Histone deacetylase (HDAC1 and HDAC2) | 1 |
| 18247554 | 10.1021/jm7011408 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine