Compound Detail
CHEMBL389715
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Basic Information
| ChEMBL ID | CHEMBL389715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIRXVLDQHKDDGB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
8
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
5.14
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.68
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.66 | 7.66 | 22.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.67 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.333 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 47.0 | % | Rattus norvegicus |
| F | 98.0 | % | Canis lupus familiaris |
| T1/2 | 1.1 | hr | Rattus norvegicus |
| T1/2 | 1.6 | hr | Canis lupus familiaris |
| Vd | 1.1 | L.kg-1 | Rattus norvegicus |
| Vd | 1.1 | L.kg-1 | Canis lupus familiaris |
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 | = | 22.0 | nM | 7.66 | Antagonist activity at human TRPV1 by calcium influx assay | 17507218 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 22.0 | nM | 7.66 | Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced cal... | 18183945 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 22.0 | nM | 7.66 | Antagonist activity at human TRPV1 assessed as inhibition of calcium influx | 21315587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17507218 | 10.1016/j.bmcl.2007.04.105 | Rattus norvegicus | 4 |
| 17507218 | 10.1016/j.bmcl.2007.04.105 | Canis familiaris | 4 |
| 17507218 | 10.1016/j.bmcl.2007.04.105 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 18183945 | 10.1021/jm701007g | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 21315587 | 10.1016/j.bmcl.2011.01.056 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine