Compound Detail
CHEMBL567089
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Basic Information
| ChEMBL ID | CHEMBL567089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSZYMWXOOBDCEC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
4.64
ALogP
7
HBA
0
HBD
65.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.35 | 5.255 | 4500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 3A4 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of human CYP3A4 | 19819693 |
| Cytochrome P450 3A4 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human CYP3A4 in human liver microsomes preincubated with NADPH | 19819693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19819693 | 10.1016/j.bmcl.2009.09.096 | Cytochrome P450 3A4 | 3 |
| 19819693 | 10.1016/j.bmcl.2009.09.096 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine