Compound Detail
CHEMBL117404
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Basic Information
| ChEMBL ID | CHEMBL117404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHCLSLPDZTTYDW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
5.76
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Histone deacetylase (HDAC1 and HDAC2) CHEMBL2111429 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory concentration against human histone deacetylase | 14613312 |
| Histone deacetylase (HDAC1 and HDAC2) | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human histone deacetylase (mixture of HDAC1 and HDAC2) prepared fr... | 12419380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14613312 | 10.1021/jm0303094 | Histone deacetylase | 1 |
| 12419380 | 10.1016/s0960-894x(02)00754-0 | Histone deacetylase (HDAC1 and HDAC2) | 1 |
Data from ChEMBL 36 via Core Engine