Compound Detail
CHEMBL220306
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O=C(NCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL220306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRZDWVMQVVLDEM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
470.4
MW (Da)
3.69
ALogP
8
HBA
3
HBD
156.1
PSA (Ų)
0.10
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 6.0 | 6.0 | 994.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 994.0 | nM | 6.0 | Displacement of [3H]PK 11195 from peripheral-type benzodiazepine receptor in rat... | 17228885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228885 | 10.1021/jm061137o | Translocator protein | 1 |
| 17228885 | 10.1021/jm061137o | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine