Compound Detail
CHEMBL397898
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Basic Information
| ChEMBL ID | CHEMBL397898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQKSBMQIHLTGMP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
5.67
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
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 | = | 109.0 | nM | 6.96 | Antagonist activity at human TRPV1 by calcium influx assay | 17507218 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17507218 | 10.1016/j.bmcl.2007.04.105 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine