EcoDrugPlus


Synonyms	(4-carbomethoxy fentanyl) 4-carbomethoxyfentanyl Carfentanil Carfentanyl R 31833
Status
Molecule Category	Free-form
UNII	LA9DTA2L8F
EPA CompTox	DTXSID40208427


InChI Key	YDSDEBIZUNNPOB-UHFFFAOYSA-N
Smiles	CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccccc2)CC1
InChI	InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3

Property Name	Value
Molecular Formula	C24H30N2O3
Molecular Weight	394.51
AlogP	3.68
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	7.0
Polar Surface Area	49.85
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	29.0

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	0.0049	0.019-17	-	0.024-92	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	1.3	0.019	-	43-92	-
Homo sapiens	0.0049	-	-	-	-
Mus musculus	-	17	-	-	-
Rattus norvegicus	-	-	-	0.024-3.3	-

Resources	Reference
ChEBI	61084
ChEMBL	CHEMBL290429
DrugBank	DB01535
FDA SRS	LA9DTA2L8F
Guide to Pharmacology	10040
PubChem	62156
SureChEMBL	SCHEMBL116222
ZINC	ZINC000004215196

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

CARFENTANIL

Structure

Physicochemical Descriptors

Pharmacology

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