Compound Detail
CHEMBL32718
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Basic Information
| ChEMBL ID | CHEMBL32718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZZPYZUATMBWAV-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
4.51
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 5.91 | 5.91 | 1220.0 | 2 |
| CEM-SS CHEMBL614548 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 1220.0 | nM | 5.91 | Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine rec... | 8182701 |
| Translocator protein | IC50 | = | 1230.27 | nM | 5.91 | Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine... | 7990110 |
| CEM-SS | IC50 | = | 18300.0 | nM | 4.74 | Cytotoxic concentration against 50% survival of uninfected untreated control CEM... | 8709096 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 100000.0 | nM | 4.0 | Compound was tested for Inhibition of HIV-1 RT activity. | 8709096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8182701 | 10.1021/jm00036a007 | Translocator protein | 1 |
| 7990110 | 10.1021/jm00050a007 | Translocator protein | 1 |
| 8709096 | 10.1021/jm950702c | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 8709096 | 10.1021/jm950702c | CEM-SS | 1 |
| 8709096 | 10.1021/jm950702c | ADMET | 1 |
| 21319802 | 10.1021/jm101438u | Adenosine kinase | 1 |
Data from ChEMBL 36 via Core Engine