EcoDrugPlus


Synonyms	Acunaso Isoephedrine, d- Neodurasina Pseudoephedrine Pseudoephedrine polistirex
Status
Molecule Category	Free-form
ATC	R01BA02
UNII	7CUC9DDI9F
EPA CompTox	DTXSID0023537


InChI Key	KWGRBVOPPLSCSI-WCBMZHEXSA-N
Smiles	CN[C@@H](C)[C@@H](O)c1ccccc1
InChI	InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1

Property Name	Value
Molecular Formula	C10H15NO
Molecular Weight	165.24
AlogP	1.33
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	32.26
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	12.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Phosphatase	-	-	-	-	2
Enzyme	-	-	-	-	13

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	2-13

Resources	Reference
ChEBI	51209
ChEMBL	CHEMBL1590
DrugBank	DB00852
DrugCentral	2326
FDA SRS	7CUC9DDI9F
Human Metabolome Database	HMDB0001943
Guide to Pharmacology	7286
KEGG	C02765
PharmGKB	PA451170
PubChem	7028
SureChEMBL	SCHEMBL4368
ZINC	ZINC000000020259

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

PSEUDOEPHEDRINE

Structure

Physicochemical Descriptors

Pharmacology

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