PHENELZINE

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Search structure


Synonyms	Nardil Phenelzine
Status
Molecule Category	Free-form
ATC	N06AF03
UNII	O408N561GF
EPA CompTox	DTXSID2041094

Structure


InChI Key	RMUCZJUITONUFY-UHFFFAOYSA-N
Smiles	NNCCc1ccccc1
InChI	InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C8H12N2
Molecular Weight	136.2
AlogP	0.69
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	38.05
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	10.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	19.95-238	-	94-163	95-100
Enzyme Transferase	-	-	-	-	0-75

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	19.95-238	-	94-163	100
Mus musculus	-	-	-	-	15.9
Rattus norvegicus	-	707.95	-	-	0-95

Cross References

Resources	Reference
ChEBI	8060
ChEMBL	CHEMBL1089
DrugBank	DB00780
DrugCentral	2123
FDA SRS	O408N561GF
Human Metabolome Database	HMDB0014918
Guide to Pharmacology	7266
KEGG	C07430
PharmGKB	PA450903
PubChem	3675
SureChEMBL	SCHEMBL34335
ZINC	ZINC000019166991

CONTENTS

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...

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Last update: Monday, 3 November 2025