Compound Detail
CHEMBL231518
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Basic Information
| ChEMBL ID | CHEMBL231518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGHMUMXBRABSJJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
6
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
5.08
ALogP
3
HBA
2
HBD
57.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 382.19 | nM | Rattus norvegicus |
| F | 10.0 | % | Rattus norvegicus |
| F | 18.0 | % | Canis lupus familiaris |
| T1/2 | 0.69 | hr | Rattus norvegicus |
| Vd | 1.8 | L.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 | = | 2.8 | nM | 8.55 | Antagonist activity at human TRPV1 receptor by calcium influx assay | 17583335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17583335 | 10.1021/jm070276i | Rattus norvegicus | 6 |
| 17583335 | 10.1021/jm070276i | Liver microsomes | 2 |
| 17583335 | 10.1021/jm070276i | Plasma | 2 |
| 17583335 | 10.1021/jm070276i | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 17583335 | 10.1021/jm070276i | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine