Compound Detail
CHEMBL112984
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 | CHEMBL112984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYAIHBMRZPJDMU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
4.28
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) CHEMBL2111429 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase (HDAC1 and HDAC2) | IC50 | = | 1.4 | nM | 8.85 | Inhibitory activity against mixture of histone deacetylase 1 (HDAC1) and histone... | 12951120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951120 | 10.1016/s0960-894x(03)00685-1 | Histone deacetylase (HDAC1 and HDAC2) | 1 |
| 12951120 | 10.1016/s0960-894x(03)00685-1 | HT-1080 | 1 |
| 12951120 | 10.1016/s0960-894x(03)00685-1 | MDA-MB-435 | 1 |
Data from ChEMBL 36 via Core Engine