APX-3330

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Search structure


Synonyms	APX 3330 APX3330 Apx-3330 Apx3330 E 3330 E-3330
Status
Molecule Category	Free-form
UNII	11267UI968
EPA CompTox	DTXSID201121926

Structure


InChI Key	AALSSIXXBDPENJ-FYWRMAATSA-N
Smiles	CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O
InChI	InChI=1S/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)/b15-13+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C21H30O6
Molecular Weight	378.47
AlogP	4.11
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	89.9
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	27.0

Pharmacology

Mechanism of Action	Action	Reference
DNA-(apurinic or apyrimidinic site) lyase inhibitor	INHIBITOR	Other

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme	-	-	1.6	-	67

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	1.6	-	67

Target Conservation


Protein: DNA-(apurinic or apyrimidinic site) lyase Description: DNA-(apurinic or apyrimidinic site) endonuclease Organism : Homo sapiens P27695 ENSG00000100823

Cross References

Resources	Reference
CAS NUMBER	136164-66-4
ChEMBL	CHEMBL578390
FDA SRS	11267UI968
SureChEMBL	SCHEMBL3758716
ZINC	ZINC000014252145

CONTENTS

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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Last update: Monday, 23^rd March 2026