Compound Detail
CHEMBL19447
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Basic Information
| ChEMBL ID | CHEMBL19447 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEUHPMAALSITIH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
1
Publications
0
Known Names
Molecular Properties
248.2
MW (Da)
2.98
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.24 | 5.94 | 570.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.9 | hr | - |
| T1/2 | 6.3 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 570.0 | nM | 6.24 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 970.0 | nM | 6.01 | Ratio = (aerobic IC50 / hypoxic IC50) determined against UV-4 cells with an 18 h... | 2296009 |
| ADMET | IC50 | = | 2700.0 | nM | 5.57 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 6 |
Data from ChEMBL 36 via Core Engine