EcoDrugPlus


Synonyms	Lofepramine
Status
Molecule Category	Free-form
ATC	N06AA07
UNII	OCA4JT7PAW
EPA CompTox	DTXSID2023220


InChI Key	SAPNXPWPAUFAJU-UHFFFAOYSA-N
Smiles	CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1
InChI	InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3

Property Name	Value
Molecular Formula	C26H27ClN2O
Molecular Weight	418.97
AlogP	5.78
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	23.55
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Resources	Reference
ChEBI	47782
ChEMBL	CHEMBL87708
DrugBank	DB13411
DrugCentral	1592
FDA SRS	OCA4JT7PAW
Guide to Pharmacology	7551
PubChem	3947
SureChEMBL	SCHEMBL35028
ZINC	ZINC000001542929

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

LOFEPRAMINE

Structure

Physicochemical Descriptors

Related Entries

Cross References