Compound Detail
CHEMBL4061184
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Basic Information
| ChEMBL ID | CHEMBL4061184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPMUTOMQEZPWDL-XBXARRHUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
2.21
ALogP
4
HBA
4
HBD
111.3
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.12 | 7.12 | 76.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 76.13 | nM | 7.12 | Inhibition of HDAC in human HeLa cell nuclear extract using Ac-Lys(Ac)-pNA as su... | 28395150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28395150 | 10.1016/j.ejmech.2017.03.079 | PC-3 | 1 |
| 28395150 | 10.1016/j.ejmech.2017.03.079 | A549 | 1 |
| 28395150 | 10.1016/j.ejmech.2017.03.079 | Unchecked | 1 |
| 28395150 | 10.1016/j.ejmech.2017.03.079 | MDA-MB-231 | 1 |
| 28395150 | 10.1016/j.ejmech.2017.03.079 | ASPC1 | 1 |
Data from ChEMBL 36 via Core Engine