Compound Detail
CHEMBL3220143
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 | CHEMBL3220143 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMRKJULMXIOLJI-BQYQJAHWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
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 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 7.82 | 7.82 | 15.2 | 1 |
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 7.01 | 7.01 | 98.2 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 6.04 | 6.04 | 903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A1 | IC50 | = | 15.2 | nM | 7.82 | Inhibition of human CYP1A1 expressed in Escherichia coli assessed as changes in ... | - |
| Cytochrome P450 1B1 | IC50 | = | 98.2 | nM | 7.01 | Inhibition of human CYP1B1 expressed in Escherichia coli assessed as changes in ... | - |
| Cytochrome P450 1A2 | IC50 | = | 903.0 | nM | 6.04 | Inhibition of human CYP1A2 expressed in Escherichia coli assessed as changes in ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00242A | Unchecked | 2 |
| - | 10.1039/C0MD00242A | Cytochrome P450 1B1 | 1 |
| - | 10.1039/C0MD00242A | Cytochrome P450 1A2 | 1 |
| - | 10.1039/C0MD00242A | Cytochrome P450 1A1 | 1 |
Data from ChEMBL 36 via Core Engine