Compound Detail
CHEMBL1123
DICYCLOMINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1123 |
| Name | DICYCLOMINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | CURUTKGFNZGFSE-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
18
Targets
39
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
1
Indications
Molecular Properties
309.5
MW (Da)
4.40
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1950 |
| Availability | Withdrawn |
| Chirality | Achiral |
Indications
Digestive System Diseases
ATC Classification
A03AA07
dicycloverine
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
Drug Warnings
Withdrawn
General Warning
Serious adverse reactions in infants under six months
Activity Summary
Ki 20 meas. best 9.39
IC50 19 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 9.39 | 9.39 | 0.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 9.03 | 9.03 | 0.9 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.69 | 8.69 | 2.1 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 8.61 | 8.61 | 2.5 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | IC50 | 8.53 | 8.53 | 2.9 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.34 | 6.714 | 4.6 | 5 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 7.33 | 7.33 | 47.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.16 | 7.16 | 69.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.96 | 6.23 | 110.0 | 4 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.61 | 6.61 | 245.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.39 | 6.39 | 411.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 6.33 | 6.33 | 468.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.08 | 6.08 | 828.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 5.92 | 5.92 | 1210.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.89 | 5.89 | 1301.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 5.85 | 5.85 | 1423.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 5.8 | 5.8 | 1598.0 | 1 |
| Histamine H2 receptor CHEMBL1941 | IC50 | 5.79 | 5.79 | 1625.0 | 1 |
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | IC50 | 5.51 | 5.51 | 3065.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 4.77 | 4.77 | 16869.7 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.69 | 4.69 | 20590.9 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.4 | 4.4 | 40040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 283 |
| - | 10.5281/zenodo.13943903 | ADMET | 89 |
| 31158845 | 10.1038/s41586-019-1291-3 | ADMET | 46 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 4 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glucocorticoid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Peroxisome proliferator-activated receptor gamma | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
Data from ChEMBL 36 via Core Engine