EcoDrugPlus


Synonyms	Artefenomel OZ-439 OZ439 Oz439
Status
Molecule Category	Free-form
UNII	RIK029813G

Synonyms

Artefenomel

OZ-439

OZ439

Oz439

Status

Molecule Category

Free-form

UNII

RIK029813G


InChI Key	XLCNVWUKICLURR-NTNLSYPKSA-N
Smiles	c1cc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1
InChI	InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2/t20?,21?,23-,24?,25?,27+,28-

InChI Key

XLCNVWUKICLURR-NTNLSYPKSA-N

Smiles

c1cc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1

InChI

InChI=1S/C28H39NO5/c1-3-26(31-14-11-29-9-12-30-13-10-29)4-2-22(1)23-5-7-27(8-6-23)32-28(34-33-27)24-16-20-15-21(18-24)19-25(28)17-20/h1-4,20-21,23-25H,5-19H2/t20?,21?,23-,24?,25?,27+,28-

Property Name	Value
Molecular Formula	C28H39NO5
Molecular Weight	469.62
AlogP	4.88
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	5.0
Polar Surface Area	49.39
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	34.0

Property Name

Value

Molecular Formula

C28H39NO5

Molecular Weight

469.62

AlogP

4.88

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

5.0

Polar Surface Area

49.39

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

34.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Plasmodium falciparum	3.4	3.4-5.1	-	-	50
Plasmodium falciparum K1	-	2-2.8	-	-	-
Plasmodium falciparum NF54	-	3.2	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Plasmodium falciparum

3.4

3.4-5.1

Plasmodium falciparum K1

2-2.8

Plasmodium falciparum NF54

3.2

Resources	Reference
ChEMBL	CHEMBL1828820
FDA SRS	RIK029813G
Guide to Pharmacology	9971
PubChem	24999143
SureChEMBL	SCHEMBL12137235

Resources

Reference

ChEMBL

CHEMBL1828820

FDA SRS

RIK029813G

Guide to Pharmacology

9971

PubChem

24999143

SureChEMBL

SCHEMBL12137235

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

ARTEFENOMEL

Structure

Physicochemical Descriptors

Pharmacology

Cross References