Compound Detail
CHEMBL4438640
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Basic Information
| ChEMBL ID | CHEMBL4438640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPOYMUXTCNIPKK-VHEBQXMUSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
4.15
ALogP
5
HBA
0
HBD
71.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GL261 CHEMBL4483239 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 31.4 | hr | - |
| T1/2 | 40.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GL261 | IC50 | = | 6700.0 | nM | 5.17 | Cytotoxicity against mouse GL261 cells assessed as reduction in cell viability i... | 30939350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30939350 | 10.1016/j.ejmech.2019.03.048 | GL261 | 6 |
| 30939350 | 10.1016/j.ejmech.2019.03.048 | SH-SY5Y | 3 |
| 30939350 | 10.1016/j.ejmech.2019.03.048 | Histone deacetylase | 3 |
| 30939350 | 10.1016/j.ejmech.2019.03.048 | No relevant target | 2 |
| 30939350 | 10.1016/j.ejmech.2019.03.048 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine