Compound Detail
CHEMBL180138
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Basic Information
| ChEMBL ID | CHEMBL180138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNENYCYVYIYIHV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
5.61
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 8.05 | 7.78 | 9.0 | 2 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.96 | 7.96 | 11.0 | 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 | = | 9.0 | nM | 8.05 | Antagonist activity against low pH(5.0-5.5)-activated rat VR1 | 16870426 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 11.0 | nM | 7.96 | Antagonist activity against capsaicin-activated human VR1 by FLIPR assay | 16870426 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 31.0 | nM | 7.51 | In vitro antagonistic activity on VR1 receptor in [Ca2+] influx assay in rat dor... | 15664827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664827 | 10.1016/j.bmcl.2004.11.033 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 16870426 | 10.1016/j.bmcl.2006.07.010 | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine