Compound Detail
CHEMBL191117
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Basic Information
| ChEMBL ID | CHEMBL191117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBQTUPXJZJJWHN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
4.37
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 5.47 | 5.47 | 3383.0 | 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 | = | 3383.0 | nM | 5.47 | Inhibition of 100 nM capsaicin effect on intracellular [Ca2+] concentration in H... | 16000002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16000002 | 10.1021/jm050139q | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine