Compound Detail
CHEMBL27556
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Basic Information
| ChEMBL ID | CHEMBL27556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCSQEIIMKDGXTR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
2.89
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.16 | 6.16 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 44.0 | nM | 7.36 | Tested for inhibitory concentration required to inhibit 50% of histone deacetyla... | 11992774 |
| Histone deacetylase | IC50 | = | 44.0 | nM | 7.36 | Inhibitory concentration against histone deacetylase | 14613312 |
| HCT-116 | IC50 | = | 700.0 | nM | 6.16 | Tested for antiproliferative activity against HCT116 colorectal human carcinoma ... | 11992774 |
| HCT-116 | IC50 | = | 700.0 | nM | 6.16 | Inhibitory concentration against HCT116 cells proliferation | 14613312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11992774 | 10.1016/s0960-894x(02)00175-0 | HCT-116 | 1 |
| 11992774 | 10.1016/s0960-894x(02)00175-0 | Unchecked | 1 |
| 14613312 | 10.1021/jm0303094 | HCT-116 | 1 |
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine