Compound Detail
CHEMBL1201294
DIPHENOXYLATE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1201294 |
| Name | DIPHENOXYLATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HYPPXZBJBPSRLK-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
3
Known Names
Molecular Properties
452.6
MW (Da)
5.48
ALogP
4
HBA
0
HBD
53.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1960 |
| Availability | Prescription |
| Chirality | Achiral |
ATC Classification
A07DA01
diphenoxylate
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
Activity Summary
IC50 1 meas. best 5.3
Ki 1 meas. best 7.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.91 | 7.91 | 12.4 | 1 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 12.37 | nM | 7.91 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cell... | 34011153 |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step p... | 23084278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 23084278 | 10.1016/j.bmcl.2012.09.080 | Potassium voltage-gated channel subfamily A member 3 | 1 |
| - | 10.1007/s00044-012-9977-1 | Whole blood | 1 |
| 817021 | 10.1021/jm00226a003 | Rattus norvegicus | 1 |
| 34011153 | 10.1021/acs.jmedchem.1c00611 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine