Compound Detail
CHEMBL499876
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Basic Information
| ChEMBL ID | CHEMBL499876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWEZXUNAYVCODW-RBUKOAKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
5.85
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | EC50 | = | 2.0 | nM | 8.7 | Activation of recombinant human GPR55 expressed in HEK293 cells assessed as incr... | 32804502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18681481 | 10.1021/np8002673 | Staphylococcus aureus | 6 |
| 38885438 | 10.1021/acs.jmedchem.3c02423 | N-arachidonyl glycine receptor | 5 |
| 33062188 | 10.1021/acsmedchemlett.0c00208 | N-arachidonyl glycine receptor | 4 |
| 33062188 | 10.1021/acsmedchemlett.0c00208 | G-protein coupled receptor 55 | 4 |
| 32804502 | 10.1021/acs.jmedchem.0c00724 | G-protein coupled receptor 55 | 1 |
Data from ChEMBL 36 via Core Engine