Compound Detail
CHEMBL4467401
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Basic Information
| ChEMBL ID | CHEMBL4467401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UELQOSZTECYCPD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.78
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human CYP1A1 by EROD assay | 30503941 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30503941 | 10.1016/j.ejmech.2018.11.039 | Cytochrome P450 1A1 | 1 |
Data from ChEMBL 36 via Core Engine