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Compound Detail

CHEMBL492

ETIDOCAINE
💊 Approved Drug
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💊 Approved Drug
CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492
Name ETIDOCAINE
Phase Approved
Structure Type MOL
InChI Key VTUSIVBDOCDNHS-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Etidocaina Etidocaine W-19053 FREE BASE W-19053 [AS HYDROCHLORIDE]
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

276.4
MW (Da)
3.75
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1976
Availability Discontinued
Chirality Racemic

Routes of Administration

Parenteral

Flags

Natural Product
USAN Stem -caine
USAN Year 1973

Extended Properties

Molecular Formula C17H28N2O
MW 276.42
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.39

ATC Classification

N01BB07
etidocaine
Level 1: NERVOUS SYSTEM
Level 2: ANESTHETICS
N01BB57
etidocaine, combinations
Level 1: NERVOUS SYSTEM
Level 2: ANESTHETICS

Activity Summary

IC50 4 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel alpha subunits; brain (Types I, II, III)
CHEMBL2096682
 IC50 5.46 5.46 3500.0 1
Unchecked
CHEMBL612545
 IC50 5.46 5.46 3467.4 2
Potassium channel subfamily K member 3
CHEMBL2321613
 IC50 4.41 4.41 39000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel alpha subunits; brain (Types I, II, III) IC50 = 3500.0 nM 5.46 Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... 2579237
Unchecked IC50 = 3500.0 nM 5.46 Displacement of [3H]-BTX-B from neuronal voltage-gated sodium channel in rat cer... 19346132
Unchecked IC50 = 3467.37 nM 5.46 Displacement of [3H]-BTX-B from neuronal voltage-gated sodium channel in rat cer... 19346132
Potassium channel subfamily K member 3 IC50 = 39000.0 nM 4.41 Inhibition of human TASK1 expressed in Xenopus oocytes by whole cell voltage cla... 31260312

Literature References

PubMed DOI Target Context # Activities
7288820 10.1021/jm00141a008 Rattus norvegicus 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
2579237 10.1021/jm00381a019 Sodium channel alpha subunits; brain (Types I, II, III) 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
7288820 10.1021/jm00141a008 Mus musculus 2
31260312 10.1021/acs.jmedchem.9b00248 Potassium channel subfamily K member 3 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 Voltage-dependent L-type calcium channel subunit alpha-1C 1
37468498 10.1038/s41467-023-40064-9 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine