Compound Detail
CHEMBL19462
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Basic Information
| ChEMBL ID | CHEMBL19462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVZOGRZYBUCDOT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
3.28
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.82 | 6.37 | 150.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.42 | hr | - |
| T1/2 | 3.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 150.0 | nM | 6.82 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 1200.0 | nM | 5.92 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 5 |
| 2296009 | 10.1021/jm00163a019 | Unchecked | 1 |
| 619146 | 10.1021/jm00199a004 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine