EcoDrugPlus


Synonyms	NSC-169497 Novocain Procaine
Status
Molecule Category	Free-form
ATC	C05AD05 N01BA02 S01HA05
UNII	4Z8Y51M438
EPA CompTox	DTXSID7045021


InChI Key	MFDFERRIHVXMIY-UHFFFAOYSA-N
Smiles	CCN(CC)CCOC(=O)c1ccc(N)cc1
InChI	InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3

Property Name	Value
Molecular Formula	C13H20N2O2
Molecular Weight	236.31
AlogP	1.77
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	55.56
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	17.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	47.3

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	14	-	-	-	47.3

Countries
Croatia
Hungary
Serbia

Resources	Reference
ChEBI	8430
ChEMBL	CHEMBL569
DrugBank	DB00721
DrugCentral	2271
FDA SRS	4Z8Y51M438
Human Metabolome Database	HMDB0014859
Guide to Pharmacology	4291
KEGG	C07375
PharmGKB	PA451110
PubChem	4914
SureChEMBL	SCHEMBL3524
ZINC	ZINC000001530757

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

PROCAINE

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