Compound Detail
CHEMBL1650523
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Basic Information
| ChEMBL ID | CHEMBL1650523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWJZGZSNAOPVHK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
5.95
ALogP
4
HBA
1
HBD
74.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential M8 protein CHEMBL1667665 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential M8 protein | IC50 | = | 0.7 | nM | 9.15 | Antagonist activity at canine TRPM8 expressed in HEK293 cells assessed as inhibi... | 21128593 |
| Cytochrome P450 2C9 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of CYP2C9 in human liver microsomes after 15 mis | 21128593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21128593 | 10.1021/jm101075v | Liver microsomes | 2 |
| 21128593 | 10.1021/jm101075v | ADMET | 1 |
| 21128593 | 10.1021/jm101075v | Cytochrome P450 2C9 | 1 |
| 21128593 | 10.1021/jm101075v | Transient receptor potential M8 protein | 1 |
Data from ChEMBL 36 via Core Engine