Compound Detail
CHEMBL63065
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Basic Information
| ChEMBL ID | CHEMBL63065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNCYVWMTXRPXGY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
5.49
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.77
Ki 1 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 9.77 | 9.77 | 0.2 | 1 |
| Translocator protein CHEMBL4552 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.83 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.17 | nM | 9.77 | In vitro inhibition of [11C]2 binding to Peripheral benzodiazepine receptor (PBR... | 15084121 |
| Translocator protein | IC50 | = | 1.71 | nM | 8.77 | In vitro displacement of [11C]DAA1106 from PBR (peripheral benzodiazepine recept... | 12482423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084121 | 10.1021/jm0304919 | Mus musculus | 6 |
| 15084121 | 10.1021/jm0304919 | Translocator protein | 1 |
| 15084121 | 10.1021/jm0304919 | GABA-A receptor; anion channel | 1 |
| 15084121 | 10.1021/jm0304919 | No relevant target | 1 |
| 15084121 | 10.1021/jm0304919 | ADMET | 1 |
| 12482423 | 10.1016/s0960-894x(02)00886-7 | Translocator protein | 1 |
| 12482423 | 10.1016/s0960-894x(02)00886-7 | GABA-A receptor; anion channel | 1 |
| 12482423 | 10.1016/s0960-894x(02)00886-7 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine