Compound Detail
CHEMBL68527
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Basic Information
| ChEMBL ID | CHEMBL68527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWOUVTOOKNGCTM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
2.39
ALogP
10
HBA
2
HBD
143.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATH-8 cell line CHEMBL614273 | EC50 | 6.68 | 6.37 | 210.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.517 | hr | Sus scrofa |
| T1/2 | 24.4 | hr | Sus scrofa |
| T1/2 | 8.5 | hr | Sus scrofa |
| T1/2 | 7.3 | hr | Sus scrofa |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATH-8 cell line | EC50 | = | 210.0 | nM | 6.68 | Compound was evaluated for the inhibition of replication and cytopathic effect o... | 8765513 |
| ATH-8 cell line | EC50 | = | 880.0 | nM | 6.06 | Compound was evaluated for the inhibition of replication and cytopathic effect o... | 8765513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765513 | 10.1021/jm960330n | ATH-8 cell line | 17 |
| 8765513 | 10.1021/jm960330n | Sus scrofa | 3 |
| 9216838 | 10.1021/jm970069q | Sus scrofa | 1 |
Data from ChEMBL 36 via Core Engine