Compound Detail
CHEMBL3132924
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3132924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIDRNDIVTIDSSU-CSKARUKUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.88
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.48 | 5.48 | 3320.0 | 1 |
| Aromatase CHEMBL1978 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human recombinant CYP1B1 after 15 mins by 7-ethoxyresorufin-O-deet... | - |
| Cytochrome P450 1A1 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of human recombinant CYP1A1 after 15 mins by 7-ethoxyresorufin-O-deet... | - |
| Cytochrome P450 1A2 | IC50 | = | 3320.0 | nM | 5.48 | Inhibition of human recombinant CYP1A2 after 15 mins by 7-ethoxyresorufin-O-deet... | - |
| Aromatase | IC50 | = | 85000.0 | nM | 4.07 | Inhibition of human recombinant aromatase using 7-methoxy-4-trifluoromethyl coum... | 32485531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00317E | Unchecked | 2 |
| - | 10.1039/C3MD00317E | Cytochrome P450 1B1 | 1 |
| - | 10.1039/C3MD00317E | Cytochrome P450 1A2 | 1 |
| - | 10.1039/C3MD00317E | Cytochrome P450 1A1 | 1 |
| 32485531 | 10.1016/j.ejmech.2020.112356 | Aromatase | 1 |
Data from ChEMBL 36 via Core Engine