Compound Detail
CHEMBL144805
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL144805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCTZLXSOIDCTQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
3.63
ALogP
3
HBA
3
HBD
53.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vanilloid receptor CHEMBL2096684 | EC50 | 7.12 | 7.12 | 75.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vanilloid receptor | EC50 | = | 75.0 | nM | 7.12 | 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 | Vanilloid receptor | 1 |
Data from ChEMBL 36 via Core Engine