FENTANYL

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Search structure


Trade Names	DURAGESIC-100 DURAGESIC-12 DURAGESIC-25 DURAGESIC-37 DURAGESIC-50 DURAGESIC-75 FENTANYL FENTANYL-100 FENTANYL-12 FENTANYL-25 FENTANYL-37 FENTANYL-50 FENTANYL-62 FENTANYL-75 FENTANYL-87 SUBSYS
Synonyms	AD 923 AD-923 Abstral Abstral- Actiq Breakyl Duragesic Duragesic-100 Duragesic-12 Duragesic-25 Duragesic-37 Duragesic-50 Duragesic-75 Durogesic Durogesic d-trans
Status
Molecule Category	Free-form
ATC	N01AH01 N02AB03
UNII	UF599785JZ
EPA CompTox	DTXSID9023049

Structure


InChI Key	PJMPHNIQZUBGLI-UHFFFAOYSA-N
Smiles	CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
InChI	InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H28N2O
Molecular Weight	336.48
AlogP	4.14
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	23.55
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	25.0

Pharmacology

Mechanism of Action	Action	Reference
Mu opioid receptor agonist	AGONIST	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor	0.51-53	1.14-431	-	1.1-679	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor	-	-	-	554	-
Membrane receptor	0.51-53	1.14-431	-	1.1-679	-
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	-53.3-22.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters	-	-	-	-	73.6

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	1.76-4.5	3.1-187.4	-	8.45-679	-
Homo sapiens	0.51-53	5.495-354	-	0.39-570	-53.3-73.6
Mus musculus	490	3.45-9.5	-	5.9-568	78
Rattus norvegicus	-	1.23-25	-	5.9-570	-

Target Conservation


Protein: Mu opioid receptor Description: Mu-type opioid receptor Organism : Homo sapiens P35372 ENSG00000112038

Environmental Exposure

Environmental Exposure Map

Countries
Czech Republic
Germany
Slovenia

Cross References

Resources	Reference
ChEBI	119915
ChEMBL	CHEMBL596
DrugBank	DB00813
DrugCentral	1164
FDA SRS	UF599785JZ
Human Metabolome Database	HMDB0014951
Guide to Pharmacology	1626
PDB	7V7
PharmGKB	PA449599
PubChem	3345
SureChEMBL	SCHEMBL8804
ZINC	ZINC000002522669

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