Compound Detail
CHEMBL3644944
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Nc1ccccc1NC(=O)c1ccc(CNC(=O)/C(=C/c2ccnc3ccccc23)c2ccc(F)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3644944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXYJQPKFXTVSFR-ZXVVBBHZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
6.07
ALogP
4
HBA
3
HBD
97.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL4001 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 3200.0 | nM | 5.5 | HDAC Inhbition Assay: Assay was done in 96-well black microplate and total volum... | - |
Data from ChEMBL 36 via Core Engine