Compound Detail
CHEMBL127349
NIFENALOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL127349 |
| Name | NIFENALOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | UAORFCGRZIGNCI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
3
Known Names
Molecular Properties
224.3
MW (Da)
1.63
ALogP
4
HBA
2
HBD
75.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Kd 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.0 | 6.0 | 1000.0 | 1 |
| Beta-2 adrenergic receptor CHEMBL3373 | Kd | 5.88 | 5.88 | 1320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 1000.0 | nM | 6.0 | Antagonist activity at beta adrenergic receptor | 21413808 |
| Beta-2 adrenergic receptor | Kd | = | 1320.0 | nM | 5.88 | Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]di... | 2993621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2993621 | 10.1021/jm00147a037 | Beta-2 adrenergic receptor | 2 |
| 2836587 | 10.1021/jm00401a004 | Beta-2 adrenergic receptor | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.1016/S0960-894X(97)00046-2 | Adrenergic receptor beta | 1 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
| 21413808 | 10.1021/jm1013693 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine