Compound Detail
CHEMBL488972
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Basic Information
| ChEMBL ID | CHEMBL488972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WECMDXJIAXDLHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.2
MW (Da)
4.16
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 16.0 | % | Rattus norvegicus |
| T1/2 | 1.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 33.0 | nM | 7.48 | Antagonist activity at human recombinant TRPV1 expressed in human 1321N1 cells a... | 18722778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722778 | 10.1016/j.bmc.2008.08.005 | Rattus norvegicus | 2 |
| 18722778 | 10.1016/j.bmc.2008.08.005 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 18722778 | 10.1016/j.bmc.2008.08.005 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine