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Compound Detail

CHEMBL1093

ARTICAINE
💊 Approved Drug
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💊 Approved Drug
CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC

Basic Information

ChEMBL ID CHEMBL1093
Name ARTICAINE
Phase Approved
Structure Type MOL
InChI Key QTGIAADRBBLJGA-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

40-045 Articaina Articaine Carticaine Septocaine
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names
4
Indications

Molecular Properties

284.4
MW (Da)
2.17
ALogP
5
HBA
2
HBD
67.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2000
Availability Prescription
Chirality Racemic

Routes of Administration

Parenteral

Flags

Natural Product
USAN Stem -caine
USAN Year 1998

Extended Properties

Molecular Formula C13H20N2O3S
MW 284.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.23

Indications

Pulpitis Pain Periodontitis Renal Insufficiency

ATC Classification

N01BB08
articaine
Level 1: NERVOUS SYSTEM
Level 2: ANESTHETICS
N01BB58
articaine, combinations
Level 1: NERVOUS SYSTEM
Level 2: ANESTHETICS

Activity Summary

IC50 4 meas. best 4.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel alpha subunits; brain (Types I, II, III)
CHEMBL2096682
IC50 4.29 4.29 51000.0 1
Unchecked
CHEMBL612545
IC50 4.29 4.29 51000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
2579237 10.1021/jm00381a019 Sodium channel alpha subunits; brain (Types I, II, III) 3
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2
24332655 10.1016/j.bmc.2013.11.049 Unchecked 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
12873507 10.1016/s0960-894x(03)00535-3 NON-PROTEIN TARGET 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1
7381857 10.1021/jm00179a017 Cavia porcellus 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 1
7381857 10.1021/jm00179a017 Albumin 1

Data from ChEMBL 36 via Core Engine