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Compound Detail

CHEMBL1201217

DYCLONINE
💊 Approved Drug
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💊 Approved Drug
CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL1201217
Name DYCLONINE
Phase Approved
Structure Type MOL
InChI Key BZEWSEKUUPWQDQ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Diclonina Dyclonine
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

289.4
MW (Da)
3.92
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Prescription
Chirality Achiral

Routes of Administration

Topical

Flags

Natural Product

Extended Properties

Molecular Formula C18H27NO2
MW 289.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.01

ATC Classification

N01BX02
dyclonine
Level 1: NERVOUS SYSTEM
Level 2: ANESTHETICS
R02AD04
dyclonine
Level 1: RESPIRATORY SYSTEM
Level 2: THROAT PREPARATIONS

Activity Summary

IC50 3 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetylcholinesterase
CHEMBL220
IC50 6.74 6.74 181.0 1
Transient receptor potential cation channel subfamily V member 3
CHEMBL3879838
IC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 4
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 3
37468498 10.1038/s41467-023-40064-9 Histamine H1 receptor 3
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 Beta-2 adrenergic receptor 2
38961616 10.1021/acs.jnatprod.4c00626 Mus musculus 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Histamine H2 receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 6 1
29429576 10.1016/j.bmc.2018.01.029 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine