EcoDrugPlus


Synonyms	IDS-NP-008 Phenazocine Phenethylazocine Phenobenzorphan
Status
Molecule Category	Free-form
ATC	N02AD02
UNII	J0ND6N0AQC
EPA CompTox	DTXSID90860736


InChI Key	ZQHYKVKNPWDQSL-UHFFFAOYSA-N
Smiles	CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1
InChI	InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3

Property Name	Value
Molecular Formula	C22H27NO
Molecular Weight	321.46
AlogP	4.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	23.47
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	24.0

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	-	8-121	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	9.8	-	-	-
Oryctolagus cuniculus	-	121	-	-	-
Rattus norvegicus	-	26-82	-	-	-

Resources	Reference
ChEMBL	CHEMBL46399
DrugCentral	2119
FDA SRS	J0ND6N0AQC
PubChem	443405
SureChEMBL	SCHEMBL26733

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

PHENAZOCINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References