Compound Detail
CHEMBL4800099
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Basic Information
| ChEMBL ID | CHEMBL4800099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRKFWZFKPBPTNG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.50
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 4Z1 CHEMBL4523375 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 4Z1 | IC50 | = | 63.0 | nM | 7.2 | Inhibition of human CYP4Z1 overexpressed in human MCF7 cells using luciferin-3FB... | 33611185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33611185 | 10.1016/j.ejmech.2021.113255 | Cytochrome P450 4Z1 | 3 |
| 33611185 | 10.1016/j.ejmech.2021.113255 | Cytochrome P450 1A2 | 1 |
| 33611185 | 10.1016/j.ejmech.2021.113255 | Cytochrome P450 2C9 | 1 |
| 33611185 | 10.1016/j.ejmech.2021.113255 | Cytochrome P450 2C19 | 1 |
| 33611185 | 10.1016/j.ejmech.2021.113255 | Cytochrome P450 2D6 | 1 |
| 33611185 | 10.1016/j.ejmech.2021.113255 | Cytochrome P450 2E1 | 1 |
| 33611185 | 10.1016/j.ejmech.2021.113255 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine