Compound Detail
CHEMBL6045068
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Basic Information
| ChEMBL ID | CHEMBL6045068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMPAFXSYJMRZTJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
2.76
ALogP
3
HBA
3
HBD
84.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.86 | 5.86 | 1380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 1380.0 | nM | 5.86 | Inhibition of Histone Deacetylase Enzymatic Activity: The following non-trypsin ... | - |
Data from ChEMBL 36 via Core Engine