Compound Detail
CHEMBL3235055
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O=C(NC1(c2ccccn2)CCC1)C1=NN(c2c[n+]([O-])ccn2)C2C1C[C@@H]1C[C@H]21
Basic Information
| ChEMBL ID | CHEMBL3235055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPKJEYWYQDLZOQ-NRUSHDPLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
1.51
ALogP
6
HBA
1
HBD
97.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 32.0 | nM | 7.5 | Displacement of [3H]Win55212-2 from human CB2 receptor expressed in CHO-K1 cells... | 23865723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 2 | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine