Compound Detail
CHEMBL5414688
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 | CHEMBL5414688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOMBFMICPLIVAC-LLVKDONJSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
4.35
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | EC50 | 9.64 | 9.64 | 0.2 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.78 | 8.78 | 1.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.4 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | EC50 | = | 0.227 | nM | 9.64 | Agonist activity at human GPR55 expressed in human HEK293 cells assessed as effe... | 37708305 |
| Unchecked | EC50 | = | 1.67 | nM | 8.78 | Agonist activity at rat GPR55 expressed in human HEK293 cells assessed as effect... | 37708305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37708305 | 10.1021/acs.jmedchem.3c00784 | G-protein coupled receptor 55 | 2 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | Unchecked | 2 |
| 37708305 | 10.1021/acs.jmedchem.3c00784 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine