Compound Detail
CHEMBL353846
ADIPHENINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL353846 |
| Name | ADIPHENINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JGOAIQNSOGZNBX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
2
Known Names
Molecular Properties
311.4
MW (Da)
3.70
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 6.46
Kd 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 7.1 | 7.1 | 79.4 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Histamine H1 receptor CHEMBL4701 | IC50 | 4.77 | 4.77 | 16982.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 79.43 | nM | 7.1 | Antimuscarinic activity was assayed for its ability to block the acetyl-choline ... | 3494849 |
| Rattus norvegicus | IC50 | = | 350.0 | nM | 6.46 | Inhibition of carbachol-induced release of alpha-amylase from pancreatic acini f... | 3494849 |
| Histamine H1 receptor | IC50 | = | 16982.44 | nM | 4.77 | Displacement of [3H]mepyramine from histamine H1 receptor in Sprague-Dawley rat ... | 22793499 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3494849 | 10.1021/jm00388a010 | Cavia porcellus | 2 |
| 22793499 | 10.1021/jm300671m | Histamine H1 receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 3494849 | 10.1021/jm00388a010 | Rattus norvegicus | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine