Compound Detail
CHEMBL229432
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Basic Information
| ChEMBL ID | CHEMBL229432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIEWRDPAJIXNPT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
437.4
MW (Da)
4.62
ALogP
7
HBA
1
HBD
80.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 7.72 | 6.8933 | 19.0 | 3 |
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 | = | 19.0 | nM | 7.72 | Inhibition of rat TRPV1 expressed in CHO cells assessed as acid-induced Ca2+ inf... | 17585751 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 330.0 | nM | 6.48 | Inhibition of rat TRPV1 expressed in CHO cells assessed as capsaicin-induced Ca2... | 17585751 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 330.0 | nM | 6.48 | Antagonist activity at rat TRPV1 | 34591488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17585751 | 10.1021/jm070191h | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 17585751 | 10.1021/jm070191h | No relevant target | 1 |
| 34591488 | 10.1021/acs.jmedchem.1c01215 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 34591488 | 10.1021/acs.jmedchem.1c01215 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine