Compound Detail
CHEMBL3221208
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Basic Information
| ChEMBL ID | CHEMBL3221208 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIOSBVONOYJYHD-FLIBITNWSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
278.8
MW (Da)
3.02
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Ki 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.38 | 5.38 | 4150.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.29 | 5.29 | 5090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4150.0 | nM | 5.38 | Displacement of [3H]diazepam from GABAA receptor in rat brain cortical membranes | - |
| G-protein coupled receptor 55 | IC50 | = | 5090.0 | nM | 5.29 | Antagonist activity against human GPR55 expressed in CHO cells assessed as reduc... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00394A | G-protein coupled receptor 35 | 4 |
| - | 10.1039/C3MD00394A | Cannabinoid receptor 1 | 4 |
| - | 10.1039/C3MD00394A | G-protein coupled receptor 55 | 3 |
| - | 10.1039/C3MD00394A | N-arachidonyl glycine receptor | 3 |
| - | 10.1039/C3MD00394A | Cannabinoid receptor 2 | 2 |
| - | 10.1039/C3MD00394A | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine