EcoDrugPlus


Trade Names	TAPENTADOL
Synonyms	BN 200 (BASE) BN-200 CG-5503 CG5503 CG5503 (BASE) CG5503 IR NSC-759619 Tapentadol
Status
Molecule Category	Free-form
ATC	N02AX06
UNII	H8A007M585
EPA CompTox	DTXSID30170003


InChI Key	KWTWDQCKEHXFFR-SMDDNHRTSA-N
Smiles	CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C
InChI	InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1

Property Name	Value
Molecular Formula	C14H23NO
Molecular Weight	221.34
AlogP	3.08
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	23.47
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	16.0

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	670	-	-	160	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	670	-	-	160	-

Countries
Croatia
Czech Republic
Germany
Slovakia
Slovenia

Resources	Reference
ChEBI	135935
ChEMBL	CHEMBL1201776
DrugBank	DB06204
DrugCentral	4283
FDA SRS	H8A007M585
Guide to Pharmacology	7477
PharmGKB	PA166179720
PubChem	9838022
SureChEMBL	SCHEMBL116924
ZINC	ZINC000000020783

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

TAPENTADOL

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Environmental Exposure

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