EcoDrugPlus


Synonyms	40 045 40-045 Articaine Carticaine HOE 045 HOE-045 Septocaine
Status
Molecule Category	Free-form
ATC	N01BB08
UNII	D3SQ406G9X
EPA CompTox	DTXSID7048536

Synonyms

40 045

40-045

Articaine

Carticaine

HOE 045

HOE-045

Septocaine

Status

Molecule Category

Free-form

ATC

N01BB08

UNII

D3SQ406G9X

EPA CompTox

DTXSID7048536


InChI Key	QTGIAADRBBLJGA-UHFFFAOYSA-N
Smiles	CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
InChI	InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)

InChI Key

QTGIAADRBBLJGA-UHFFFAOYSA-N

Smiles

CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC

InChI

InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)

Property Name	Value
Molecular Formula	C13H20N2O3S
Molecular Weight	284.38
AlogP	2.17
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	67.43
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C13H20N2O3S

Molecular Weight

284.38

AlogP

2.17

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

67.43

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	17.1-62.2

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Ion channel Voltage-gated ion channel Voltage-gated sodium channel

17.1-62.2

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	-	17.1-62.2

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Cavia porcellus

17.1-62.2

Resources	Reference
ChEBI	91834
ChEMBL	CHEMBL1093
DrugBank	DB09009
DrugCentral	3070
FDA SRS	D3SQ406G9X
PubChem	32170
SureChEMBL	SCHEMBL26715

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ARTICAINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References