Compound Detail
CHEMBL2087075
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Basic Information
| ChEMBL ID | CHEMBL2087075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDOPDZCHKHNPDS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2109689 |
| Active Moiety | CHEMBL2109689 |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
149.2
MW (Da)
2.70
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
EC50 2 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | EC50 | 4.36 | 4.36 | 43400.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 4.19 | 4.19 | 64200.0 | 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 | EC50 | = | 43400.0 | nM | 4.36 | Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of int... | 22503249 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 64200.0 | nM | 4.19 | 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