Compound Detail
CHEMBL480295
ETHOXYCLUSIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL480295 |
| Name | ETHOXYCLUSIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPKABVGOUVBEEX-HSQXHLSASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.5
MW (Da)
3.21
ALogP
8
HBA
1
HBD
84.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.06 | 4.06 | 87900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of human liver microsome CYP3A4 in assessed as [14C]formaldehyde form... | 15679319 |
| Cytochrome P450 2D6 | IC50 | = | 87900.0 | nM | 4.06 | Inhibition of human liver microsome CYP2D6 in assessed as [14C]formaldehyde form... | 15679319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15679319 | 10.1021/np0401765 | Cytochrome P450 3A4 | 1 |
| 15679319 | 10.1021/np0401765 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine