Compound Detail
CHEMBL88990
NITRAQUAZONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL88990 |
| Name | NITRAQUAZONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GNWCRBFQZDJFTI-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
2
Known Names
Molecular Properties
311.3
MW (Da)
2.08
ALogP
6
HBA
0
HBD
87.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 7 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 8.0 | 6.0725 | 10.0 | 4 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.94 | 4.94 | 11400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 10.0 | nM | 8.0 | Displacement of [3H]rolipram from high affinity binding site (HARBS) in rat brai... | 11128646 |
| Phosphodiesterase 4 | IC50 | = | 50.0 | nM | 7.3 | Inhibitory potency against guinea pig ventricular phosphodiesterase 4 | 11128646 |
| Phosphodiesterase 4 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of [3H]cAMP (NEN NET-275) binding to Calcium-Independent Phosphodiest... | 1825116 |
| Phosphodiesterase 4 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of phosphodiesterase 4 in rat brain cortex | 1995886 |
| Unchecked | IC50 | = | 11400.0 | nM | 4.94 | Inhibition of phosphodiesterase 4 from guinea pig lung | 1995886 |
| Phosphodiesterase 4 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of [3H]rolipram binding to rat brain membranes. | 1825116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1825116 | 10.1021/jm00105a015 | Phosphodiesterase 4 | 2 |
| 1995886 | 10.1021/jm00106a024 | Phosphodiesterase 4 | 2 |
| 1995886 | 10.1021/jm00106a024 | Mus musculus | 2 |
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 4 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 1995886 | 10.1021/jm00106a024 | Unchecked | 1 |
| 1995886 | 10.1021/jm00106a024 | Rattus norvegicus | 1 |
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine