PRAMOXINE


Synonyms	Pramocaine Pramoxine
Status
Molecule Category	UNKNOWN
UNII	068X84E056
EPA CompTox	DTXSID8040692


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

Structure


InChI Key	DQKXQSGTHWVTAD-UHFFFAOYSA-N
Smiles	CCCCOc1ccc(OCCCN2CCOCC2)cc1
InChI	InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H27NO3
Molecular Weight	293.41
AlogP	2.97
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	9.0
Polar Surface Area	30.93
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	21.0

Assay Description	Organism	Bioactivity
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	29.7 %
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 100 uM	Cavia porcellus	86.3 %
DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)	None	121.0 nM	DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol)	None	51.0 nM
DRUGMATRIX: Sigma2 radioligand binding (ligand: [3H] Ifenprodil)	Rattus norvegicus	633.0 nM

Cross References

Resources	Reference
ChEBI	8357
ChEMBL	CHEMBL1198
DrugBank	DB09345
DrugCentral	3487
FDA SRS	068X84E056
KEGG	C07892
PDB	PX9
PubChem	4886
SureChEMBL	SCHEMBL26020
ZINC	ZINC000019594594

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).