Compound Detail
CHEMBL1668519
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Basic Information
| ChEMBL ID | CHEMBL1668519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKGIMVBQKSRTGX-VKAVYKQESA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
310.5
MW (Da)
2.92
ALogP
4
HBA
0
HBD
43.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.19 | 9.19 | 0.6 | 3 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.57 | 6.57 | 270.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.64 | nM | 9.19 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Ki | = | 0.64 | nM | 9.19 | Binding affinity to human CB2 receptor | 22444677 |
| Cannabinoid receptor 2 | Ki | = | 0.64 | nM | 9.19 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells b... | 23865723 |
| Cannabinoid receptor 1 | Ki | = | 270.0 | nM | 6.57 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
| Cannabinoid receptor 1 | Ki | = | 272.0 | nM | 6.57 | Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells b... | 23865723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058564 | U2OS | 6 |
| 23865723 | 10.1021/jm4005626 | Rattus norvegicus | 4 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 3 |
| 23865723 | 10.1021/jm4005626 | Unchecked | 2 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 2 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 2 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 2 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 2 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 2 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 2 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine