Compound Detail
CHEMBL2443079
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Basic Information
| ChEMBL ID | CHEMBL2443079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXXQDSBIEKSNGM-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.4
MW (Da)
4.61
ALogP
4
HBA
2
HBD
71.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL1075319 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 6.08 | 6.08 | 841.6 | 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 | = | 9.5 | nM | 8.02 | Antagonist activity at human TRPM8 expressed in CHO cells assessed as inhibition... | 24055075 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 841.6 | nM | 6.08 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 24055075 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24055075 | 10.1016/j.bmc.2013.08.031 | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 24055075 | 10.1016/j.bmc.2013.08.031 | Transient receptor potential cation channel subfamily V member 4 | 1 |
| 24055075 | 10.1016/j.bmc.2013.08.031 | Transient receptor potential cation channel subfamily V member 3 | 1 |
| 24055075 | 10.1016/j.bmc.2013.08.031 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 24055075 | 10.1016/j.bmc.2013.08.031 | Transient receptor potential cation channel subfamily M member 8 | 1 |
Data from ChEMBL 36 via Core Engine