Compound Detail
CHEMBL322701
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Basic Information
| ChEMBL ID | CHEMBL322701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGJJRQMHCYZKQT-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.9
MW (Da)
4.07
ALogP
6
HBA
0
HBD
69.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 98.0 | nM | 7.01 | Binding affinity against rat benzodiazepine (BZD) receptor | 12372538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372538 | 10.1016/s0960-894x(02)00513-9 | Rattus norvegicus | 2 |
| 12372538 | 10.1016/s0960-894x(02)00513-9 | No relevant target | 1 |
| 12372538 | 10.1016/s0960-894x(02)00513-9 | Translocator protein | 1 |
| 12372538 | 10.1016/s0960-894x(02)00513-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine