EcoDrugPlus


Synonyms	Dl-pentazocine Fortral NIH-7958 NSC-107430 Pentazocine Pentazocine civ Talwin WIN 20,228 WIN-20228
Status
Molecule Category	Free-form
ATC	N02AD01
UNII	RP4A60D26L


InChI Key	VOKSWYLNZZRQPF-UHFFFAOYSA-N
Smiles	CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C
InChI	InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3

Property Name	Value
Molecular Formula	C19H27NO
Molecular Weight	285.43
AlogP	3.88
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	23.47
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	21.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Other membrane protein	-	-	2.9	5.4-15	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	2.9	5.4-15	-

Resources	Reference
ChEMBL	CHEMBL100116
DrugCentral	3424
FDA SRS	RP4A60D26L
PubChem	441278
SureChEMBL	SCHEMBL2493

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

PENTAZOCINE

Structure

Physicochemical Descriptors

Pharmacology

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