Compound Detail
CHEMBL4295040
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Basic Information
| ChEMBL ID | CHEMBL4295040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHVOOJDLCVOLKI-VWLOTQADSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.95
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 9.7 | 8.55 | 0.2 | 2 |
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 | = | 0.2 | nM | 9.7 | Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction... | 29939028 |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 40.0 | nM | 7.4 | 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 | 5 |
| 29939028 | 10.1021/acs.jmedchem.8b00545 | Mus musculus | 3 |
| 29939028 | 10.1021/acs.jmedchem.8b00545 | No relevant target | 2 |
| 29939028 | 10.1021/acs.jmedchem.8b00545 | ADMET | 1 |
| 29939028 | 10.1021/acs.jmedchem.8b00545 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine