Compound Detail
CHEMBL503570
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Basic Information
| ChEMBL ID | CHEMBL503570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLYVKSBWJVLOJI-OTYYAQKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
6.21
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A2 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of human recombinant CYP1A2 | 18249473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18249473 | 10.1016/j.ejmech.2007.10.034 | Cytochrome P450 1A2 | 3 |
| 18249473 | 10.1016/j.ejmech.2007.10.034 | Cytochrome P450 3A4 | 2 |
| 18249473 | 10.1016/j.ejmech.2007.10.034 | Cytochrome P450 2D6 | 2 |
| 18249473 | 10.1016/j.ejmech.2007.10.034 | Cytochrome P450 2B6 | 2 |
| 18249473 | 10.1016/j.ejmech.2007.10.034 | No relevant target | 1 |
| 18249473 | 10.1016/j.ejmech.2007.10.034 | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine