EcoDrugPlus


Synonyms	Amidone Diaminon Dl-methadone Dolophin Dolophine Heptadon Heptadone IDS-NM-002 Metasedin Methadone Methadose Phenadone Phy Physeptone Symoron
Status
Molecule Category	Free-form
ATC	N07BC02
UNII	UC6VBE7V1Z
EPA CompTox	DTXSID7023273


InChI Key	USSIQXCVUWKGNF-UHFFFAOYSA-N
Smiles	CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3

Property Name	Value
Molecular Formula	C21H27NO
Molecular Weight	309.45
AlogP	4.29
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	20.31
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	23.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6	-	-	-	-	58-75
Enzyme Oxidoreductase	-	-	-	30	-
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor	-	4.1-512	-	13	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	13	58-75
Rattus norvegicus	-	-	-	30	-

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Serbia
Slovakia
Slovenia
USA

Resources	Reference
ChEBI	167309
ChEMBL	CHEMBL651
DrugBank	DB00333
DrugCentral	1728
FDA SRS	UC6VBE7V1Z
Human Metabolome Database	HMDB0014477
Guide to Pharmacology	5458
KEGG	C07163
PharmGKB	PA450401
PubChem	4095
SureChEMBL	SCHEMBL34140

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

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