Compound Detail
CHEMBL4519981
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Basic Information
| ChEMBL ID | CHEMBL4519981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTOZGCRKKAPERF-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
5.26
ALogP
4
HBA
0
HBD
39.1
PSA (Ų)
0.67
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.58
EC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 26.0 | nM | 7.58 | Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cell memb... | 30583970 |
| Cannabinoid receptor 2 | EC50 | = | 150.0 | nM | 6.82 | Agonist activity at human CB2 receptor expressed in CHO cell membranes assessed ... | 30583970 |
| Cannabinoid receptor 1 | Ki | = | 780.0 | nM | 6.11 | Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cell memb... | 30583970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30583970 | 10.1016/j.ejmech.2018.12.008 | Cannabinoid receptor 2 | 4 |
| 30583970 | 10.1016/j.ejmech.2018.12.008 | Unchecked | 1 |
| 30583970 | 10.1016/j.ejmech.2018.12.008 | Cannabinoid receptor 1 | 1 |
| 30583970 | 10.1016/j.ejmech.2018.12.008 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine