Compound Detail
CHEMBL152371
PAFENOLOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL152371 |
| Name | PAFENOLOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PKWZWSXSCKVUJB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
1
Known Names
Molecular Properties
337.5
MW (Da)
1.67
ALogP
4
HBA
4
HBD
82.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Ki 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 CHEMBL4302 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent translocase ABCB1 | Ki | = | 5500.0 | nM | 5.26 | High affinity constant at binding site of human P-Glycoprotein (P-gp) in two-aff... | 12477351 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477351 | 10.1021/jm020941h | ATP-dependent translocase ABCB1 | 2 |
| 10514357 | 10.1021/js980378j | ATP-dependent translocase ABCB1 | 2 |
| 12477351 | 10.1021/jm020941h | No relevant target | 1 |
| 20022146 | 10.1016/j.ejmech.2009.11.034 | Homo sapiens | 1 |
| 21112128 | 10.1016/j.ejmech.2010.11.005 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine