Compound Detail
CHEMBL3086767
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Basic Information
| ChEMBL ID | CHEMBL3086767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTOYBIILVCHURC-UHFFFAOYSA-N |
11
Targets
15
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
1.87
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 9.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 2 CHEMBL1937 | IC50 | 9.95 | 8.39 | 0.1 | 3 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.36 | 6.0067 | 433.0 | 3 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Histone deacetylase 9 CHEMBL4145 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine