Compound Detail
CHEMBL246589
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Basic Information
| ChEMBL ID | CHEMBL246589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCYZKVPQADWDKK-FQEVSTJZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
3.05
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.24
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.38 | 6.38 | 412.0 | 1 |
| MM96L CHEMBL614170 | IC50 | 5.82 | 5.82 | 1520.0 | 1 |
| NFF CHEMBL614198 | IC50 | 5.82 | 5.82 | 1520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of human HDAC 1 | 17507219 |
| NON-PROTEIN TARGET | IC50 | = | 412.0 | nM | 6.38 | Antiproliferative activity against mouse SC9 cells by MTS assay | 17507219 |
| NFF | IC50 | = | 1520.0 | nM | 5.82 | Antiproliferative activity against human NFF cells | 17181145 |
| MM96L | IC50 | = | 1520.0 | nM | 5.82 | Antiproliferative activity against human MM96L cells | 17181145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181145 | 10.1021/jm050214x | NFF | 1 |
| 17181145 | 10.1021/jm050214x | MM96L | 1 |
| 17181145 | 10.1021/jm050214x | Unchecked | 1 |
| 17507219 | 10.1016/j.bmcl.2007.04.089 | Histone deacetylase 1 | 1 |
| 17507219 | 10.1016/j.bmcl.2007.04.089 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine