Compound Detail
CHEMBL3894504
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 | CHEMBL3894504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQGXDKRHMBRZCS-WRZZVLGPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.5
MW (Da)
5.11
ALogP
2
HBA
0
HBD
21.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.54
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat sensitive channel TRPV3 CHEMBL3879847 | EC50 | 4.54 | 4.54 | 29200.0 | 1 |
| Heat sensitive channel TRPV3 CHEMBL3879847 | IC50 | 4.24 | 4.24 | 57500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat sensitive channel TRPV3 | EC50 | = | 29200.0 | nM | 4.54 | Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-... | 27352042 |
| Heat sensitive channel TRPV3 | IC50 | = | 57500.0 | nM | 4.24 | Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhib... | 27352042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27352042 | 10.1021/acs.jnatprod.6b00141 | Heat sensitive channel TRPV3 | 3 |
| 27352042 | 10.1021/acs.jnatprod.6b00141 | Unchecked | 1 |
| 27352042 | 10.1021/acs.jnatprod.6b00141 | Signal transducer and activator of transcription 3 | 1 |
Data from ChEMBL 36 via Core Engine