Compound Detail
CHEMBL476607
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Basic Information
| ChEMBL ID | CHEMBL476607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJZDLHWHIBNCJV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
2.89
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.87 | 8.87 | 1.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 1.34 | nM | 8.87 | Displacement of [11C]PK11195 from PBR receptor in rat brain membrane | 19217778 |
| Unchecked | Ki | = | 8400.0 | nM | 5.08 | Displacement of [11C]flumazenil from CBR receptor in rat brain membrane | 19217778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19217778 | 10.1016/j.bmcl.2009.01.093 | Translocator protein | 1 |
| 19217778 | 10.1016/j.bmcl.2009.01.093 | Unchecked | 1 |
| 19217778 | 10.1016/j.bmcl.2009.01.093 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine