Compound Detail
CHEMBL4070705
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Basic Information
| ChEMBL ID | CHEMBL4070705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKLGNFJHVJIZPK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.62
ALogP
4
HBA
1
HBD
39.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 6.32 | 6.32 | 482.4 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.64 | 4.64 | 23030.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 6 | IC50 | = | 482.4 | nM | 6.32 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Bile salt export pump | IC50 | = | 23030.0 | nM | 4.64 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... | 22961681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine