Compound Detail
CHEMBL3644945
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3644945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDFYFRGBIWCMFK-XIEYBQDHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
6.24
ALogP
4
HBA
3
HBD
84.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL4001 | IC50 | 7.21 | 5.65 | 62.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 62.0 | nM | 7.21 | HDAC Inhbition Assay: Assay was done in 96-well black microplate and total volum... | - |
| Histone deacetylase 1 | IC50 | = | 82000.0 | nM | 4.09 | HDAC Inhbition Assay: Assay was done in 96-well black microplate and total volum... | - |
Data from ChEMBL 36 via Core Engine