Compound Detail
CHEMBL490810
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Basic Information
| ChEMBL ID | CHEMBL490810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAMAHWUELDAAIA-LDADJPATSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
5.82
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.81
Ki 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.08 | 6.08 | 828.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.81 | 5.655 | 1560.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 828.0 | nM | 6.08 | Displacement of [3H]-CP55940 from recombinant human CB2 receptor expressed in HE... | 30816712 |
| Unchecked | IC50 | = | 1560.0 | nM | 5.81 | Inhibition of TNF-alpha-induced NF-kappaB activation in human HeLa cells by SEAP... | 18841906 |
| Unchecked | IC50 | = | 3140.0 | nM | 5.5 | Inhibition of LPS-induced NF-kappaB activation in mouse RAW264.7 cells by SEAP r... | 18841906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18841906 | 10.1021/np800383q | Unchecked | 2 |
| 30816712 | 10.1021/acs.jnatprod.8b00874 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine