Compound Detail
CHEMBL205154
TERFENADONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL205154 |
| Name | TERFENADONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCADFOXVGUGHRV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
469.7
MW (Da)
6.60
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2J2 CHEMBL3491 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| DNA gyrase CHEMBL3038482 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2J2 | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 ins... | 16495056 |
| DNA gyrase | IC50 | = | 93000.0 | nM | 4.03 | Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-c... | 25238555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16495056 | 10.1016/j.bmcl.2006.02.004 | Cytochrome P450 2J2 | 1 |
| 25238555 | 10.1021/jm5010682 | Staphylococcus aureus | 1 |
| 25238555 | 10.1021/jm5010682 | DNA gyrase | 1 |
| 25238555 | 10.1021/jm5010682 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine