EcoDrugPlus


Synonyms	Pifoxime
Status
Molecule Category	Free-form
UNII	5947ECZ7WH
EPA CompTox	DTXSID2048828

Synonyms

Pifoxime

Status

Molecule Category

Free-form

UNII

5947ECZ7WH

EPA CompTox

DTXSID2048828


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


InChI Key	XUDSQIDNHJMBBW-FOWTUZBSSA-N
Smiles	C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1
InChI	InChI=1S/C15H20N2O3/c1-12(16-19)13-5-7-14(8-6-13)20-11-15(18)17-9-3-2-4-10-17/h5-8,19H,2-4,9-11H2,1H3/b16-12+

InChI Key

XUDSQIDNHJMBBW-FOWTUZBSSA-N

Smiles

C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1

InChI

InChI=1S/C15H20N2O3/c1-12(16-19)13-5-7-14(8-6-13)20-11-15(18)17-9-3-2-4-10-17/h5-8,19H,2-4,9-11H2,1H3/b16-12+

Property Name	Value
Molecular Formula	C15H20N2O3
Molecular Weight	276.34
AlogP	2.28
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	62.13
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H20N2O3

Molecular Weight

276.34

AlogP

2.28

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

62.13

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

20.0

Resources	Reference
ChEMBL	CHEMBL1998966
FDA SRS	5947ECZ7WH
PubChem	35755
SureChEMBL	SCHEMBL26342
ZINC	ZINC000005179068

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC


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).

PIFOXIME

Structure

Physicochemical Descriptors

Cross References