Compound Detail
CHEMBL269890
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CC(=O)CCCCC[C@H](NC(=O)CCN1CCCCC1)C(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL269890 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJYQTADAMJLXQM-PMERELPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
5.39
ALogP
4
HBA
3
HBD
94.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 190.0 | nM | 6.72 | Inhibition of human HDAC1 | 18247554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18247554 | 10.1021/jm7011408 | Histone deacetylase 1 | 2 |
Data from ChEMBL 36 via Core Engine