Compound Detail
CHEMBL27926
NAPITANE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL27926 |
| Name | NAPITANE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | HAEPGZUGYMHCJE-UHFFFAOYSA-N |
4
Targets
15
Activities
3
Assay Types
0
PK Parameters
3
Publications
3
Known Names
Molecular Properties
335.4
MW (Da)
4.32
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Kd 6 meas. best 8.25
Ki 6 meas. best 9.37
IC50 3 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 9.37 | 9.1433 | 0.4 | 3 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | Kd | 8.25 | 8.19 | 5.6 | 3 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Kd | 7.84 | 7.7667 | 14.4 | 3 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.12 | 7.0133 | 75.9 | 3 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.08 | 5.8233 | 841.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80353-X | Adrenergic receptor alpha-2 | 9 |
| - | 10.1016/S0960-894X(01)80353-X | Adrenergic receptor alpha-1 | 3 |
| - | 10.1016/S0960-894X(01)80353-X | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine