Compound Detail
CHEMBL2087048
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Basic Information
| ChEMBL ID | CHEMBL2087048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAZLTPIODCGRTJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
5.64
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.91 | 4.91 | 12200.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 12200.0 | nM | 4.91 | Activation of rat TRPV3 expressed in HEK293 cells assessed as stimulation of int... | 22503249 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 14100.0 | nM | 4.85 | Activation of rat TRPA1 expressed in HEK293 cells assessed as stimulation of int... | 22503249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22503249 | 10.1016/j.bmcl.2012.03.055 | Transient receptor potential cation channel subfamily M member 8 | 4 |
| 22503249 | 10.1016/j.bmcl.2012.03.055 | Unchecked | 3 |
| 22503249 | 10.1016/j.bmcl.2012.03.055 | Transient receptor potential cation channel subfamily A member 1 | 3 |
Data from ChEMBL 36 via Core Engine