Compound Detail
CHEMBL4292679
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O=[N+]([O-])c1ccc(Sc2[nH]c3ccccc3c2CCN(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1
Basic Information
| ChEMBL ID | CHEMBL4292679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXMZNQNBGYJMJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
538.6
MW (Da)
7.38
ALogP
6
HBA
1
HBD
105.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 2200.0 | nM | 5.66 | Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction... | 29939028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29939028 | 10.1021/acs.jmedchem.8b00545 | Transient receptor potential cation channel subfamily M member 8 | 1 |
Data from ChEMBL 36 via Core Engine