EcoDrugPlus


Synonyms	SB-252263-AAB Tafenoquine WR 238605
Status
Molecule Category	Free-form
ATC	P01BA07
UNII	262P8GS9L9

Synonyms

SB-252263-AAB

Tafenoquine

WR 238605

Status

Molecule Category

Free-form

ATC

P01BA07

UNII

262P8GS9L9


InChI Key	LBHLFPGPEGDCJG-UHFFFAOYSA-N
Smiles	COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1
InChI	InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3

InChI Key

LBHLFPGPEGDCJG-UHFFFAOYSA-N

Smiles

COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1

InChI

InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3

Property Name	Value
Molecular Formula	C24H28F3N3O3
Molecular Weight	463.5
AlogP	5.91
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	78.63
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	33.0

Property Name

Value

Molecular Formula

C24H28F3N3O3

Molecular Weight

463.5

AlogP

5.91

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

78.63

Molecular species

BASE

Aromatic Rings

3.0

Heavy Atoms

33.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mus musculus	-	-	-	-	39-96
Plasmodium cynomolgi	-	140-190	-	-	-
Plasmodium falciparum	-	217	-	-	50

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Mus musculus

39-96

Plasmodium cynomolgi

140-190

Plasmodium falciparum

217

Resources	Reference
ChEBI	141487
ChEMBL	CHEMBL298470
DrugBank	DB06608
DrugCentral	3578
FDA SRS	262P8GS9L9
Guide to Pharmacology	9722
PharmGKB	PA166115580
PubChem	115358
SureChEMBL	SCHEMBL347388

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

PharmGKB

PubChem

SureChEMBL

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

TAFENOQUINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References