Compound Detail
CHEMBL373731
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Basic Information
| ChEMBL ID | CHEMBL373731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEWLFIQAUUHYHC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.3
MW (Da)
4.48
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 38.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 25.0 | 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 | = | 14.0 | nM | 7.85 | 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