Compound Detail
CHEMBL103320
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Basic Information
| ChEMBL ID | CHEMBL103320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXBJKUHHCYVRFY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
150.2
MW (Da)
1.82
ALogP
2
HBA
2
HBD
44.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.17 | 6.17 | 669.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 669.0 | nM | 6.17 | Tested for the inhibition of 20-HETE production from arachidonic acid (AA) by hu... | 11714595 |
| Cytochrome P450 2D6 | IC50 | = | 52000.0 | nM | 4.28 | Inhibition of recombinant human Cytochrome P450 2D6 | 11714595 |
| Cytochrome P450 2C9 | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of recombinant human Cytochrome P450 2C9 | 11714595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36414390 | 10.1021/acs.jmedchem.2c01320 | Cytochrome P450 4Z1 | 2 |
| 11714595 | 10.1016/s0960-894x(01)00614-x | Homo sapiens | 1 |
| 11714595 | 10.1016/s0960-894x(01)00614-x | Cytochrome P450 2C9 | 1 |
| 11714595 | 10.1016/s0960-894x(01)00614-x | Cytochrome P450 2D6 | 1 |
| 11714595 | 10.1016/s0960-894x(01)00614-x | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine