PROCAINE


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


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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

Physicochemical Descriptors

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

Assay Description	Organism	Bioactivity	Reference
Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 uM	Cavia porcellus	47.3 %
Negative inotropic activity in guinea pig left atria assessed as decrease of 1 Hz current-induced developed tension	Cavia porcellus	14.0 nM

Related Entries

Environmental Exposure

Environmental Exposure Map

Countries
Croatia
Hungary
Serbia

Cross References

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

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).