Compound Detail
CHEMBL2087050
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Basic Information
| ChEMBL ID | CHEMBL2087050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOUNKQLDMFHDAI-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.8
MW (Da)
4.99
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.36
IC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.68 | 4.68 | 20900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 4400.0 | nM | 5.36 | Activation of rat TRPA1 expressed in HEK293 cells assessed as stimulation of int... | 22503249 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of rat TRPA1 expressed in HEK293 cells assessed as reduction in 100 u... | 22503249 |
| Unchecked | IC50 | = | 16600.0 | nM | 4.78 | Inhibition of rat TRPV3 expressed in HEK293 cells assessed as reduction in 100 u... | 22503249 |
| Unchecked | EC50 | = | 20900.0 | nM | 4.68 | Activation of rat TRPV3 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