EcoDrugPlus


Synonyms	Apaziquone EO-9 EO9 Eoquin NOR-701 NSC-382456 NSC-382459 Qapzola
Status
Molecule Category	Free-form
UNII	H464ZO600O

Synonyms

Apaziquone

EO-9

EO9

Eoquin

NOR-701

NSC-382456

NSC-382459

Qapzola

Status

Molecule Category

Free-form

UNII

H464ZO600O


InChI Key	MXPOCMVWFLDDLZ-NSCUHMNNSA-N
Smiles	Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O
InChI	InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+

InChI Key

MXPOCMVWFLDDLZ-NSCUHMNNSA-N

Smiles

Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O

InChI

InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+

Property Name	Value
Molecular Formula	C15H16N2O4
Molecular Weight	288.3
AlogP	0.1
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	82.54
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C15H16N2O4

Molecular Weight

288.3

AlogP

0.1

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

82.54

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

21.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	PubMed

Mechanism of Action

Action

Reference

DNA inhibitor

INHIBITOR

PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	4.72

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Oxidoreductase

4.72

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	5.9-600	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

5.9-600

Resources	Reference
ChEMBL	CHEMBL73822
DrugBank	DB12593
FDA SRS	H464ZO600O
PubChem	5813717
SureChEMBL	SCHEMBL367964
ZINC	ZINC000001536777

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

APAZIQUONE

Structure

Physicochemical Descriptors

Pharmacology

Cross References