Compound Detail
CHEMBL356291
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Basic Information
| ChEMBL ID | CHEMBL356291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRYDRZCVOYLUOV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
3.91
ALogP
4
HBA
3
HBD
68.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.88
Ki 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 7.08 | 7.08 | 84.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | EC50 | 6.88 | 6.88 | 132.0 | 1 |
| Vanilloid receptor CHEMBL2096684 | EC50 | 6.77 | 6.77 | 170.0 | 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 | Ki | = | 84.0 | nM | 7.08 | Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells | 22796184 |
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 132.0 | nM | 6.88 | Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake | 22796184 |
| Vanilloid receptor | EC50 | = | 170.0 | nM | 6.77 | Compound tested in vitro for [Ca2+] influx into neonatal rat dorsal root ganglia... | 8960554 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960554 | 10.1021/jm960512h | Mus musculus | 4 |
| 22796184 | 10.1016/j.bmcl.2012.06.059 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 8960554 | 10.1021/jm960512h | Vanilloid receptor | 1 |
| 8960554 | 10.1021/jm960512h | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine