Compound Detail
CHEMBL227150
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Basic Information
| ChEMBL ID | CHEMBL227150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEBBMEXBEQLSSM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
5.09
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 7.96 | 7.585 | 11.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 183.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 110.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 20.0 | mL.min-1.kg-1 | Rattus norvegicus |
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 | = | 11.0 | nM | 7.96 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... | 17585750 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 62.0 | nM | 7.21 | Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o... | 17585750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17585750 | 10.1021/jm070190p | Transient receptor potential cation channel subfamily V member 1 | 2 |
| 17585750 | 10.1021/jm070190p | Liver microsomes | 2 |
| 17585750 | 10.1021/jm070190p | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine