Compound Detail
CHEMBL3648280
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Basic Information
| ChEMBL ID | CHEMBL3648280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBOHZZWBYZOFFN-NTEUORMPSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
4.07
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.30
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.27 | 7.27 | 54.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 54.0 | nM | 7.27 | Enzyme Assay: The assay have been carried out in a 96 well format and the BIOMOL... | - |
| Histone deacetylase 1 | IC50 | = | 54.0 | nM | 7.27 | In Vitro HDAC Assay: The assay has been carried out in 96 well format and the BI... | - |
| Histone deacetylase 1 | IC50 | = | 54.0 | nM | 7.27 | Enzyme Assay: The assay has been carried out in 96 well format and the BIOMOL fl... | - |
Data from ChEMBL 36 via Core Engine