Compound Detail
CHEMBL3422829
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Basic Information
| ChEMBL ID | CHEMBL3422829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKLRJSBUIYHPQS-MDZDMXLPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.26
ALogP
4
HBA
1
HBD
81.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 4.97 | 4.97 | 10700.0 | 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 | = | 1800.0 | nM | 5.75 | Antagonist activity against rat TRPM8 expressed in HEK293 cells assessed as inhi... | 25935641 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 10700.0 | nM | 4.97 | Antagonist activity against human TRPV1 expressed in HEK293 cells assessed as in... | 25935641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25935641 | 10.1016/j.bmcl.2015.04.032 | Transient receptor potential cation channel subfamily M member 8 | 1 |
| 25935641 | 10.1016/j.bmcl.2015.04.032 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine