Compound Detail
CHEMBL495673
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Basic Information
| ChEMBL ID | CHEMBL495673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHESLGXYAUGTJK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.4
MW (Da)
5.11
ALogP
7
HBA
2
HBD
103.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 8.44 | 8.12 | 3.6 | 2 |
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 | = | 3.6 | nM | 8.44 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... | 18386885 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 15.9 | nM | 7.8 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... | 18386885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18386885 | 10.1021/jm7014638 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 18386885 | 10.1021/jm7014638 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine