EcoDrugPlus


Trade Names	VANSIL
Synonyms	NSC-352888 Oxamniquine Oxamniquinum UK-4261 UK-4271 Vansil
Status
Molecule Category	Free-form
ATC	P02BA02
UNII	00BCY677OT
EPA CompTox	DTXSID3023398

Trade Names

VANSIL

Synonyms

NSC-352888

Oxamniquine

Oxamniquinum

UK-4261

UK-4271

Vansil

Status

Molecule Category

Free-form

ATC

P02BA02

UNII

00BCY677OT

EPA CompTox

DTXSID3023398


InChI Key	XCGYUJZMCCFSRP-UHFFFAOYSA-N
Smiles	CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1
InChI	InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3

InChI Key

XCGYUJZMCCFSRP-UHFFFAOYSA-N

Smiles

CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1

InChI

InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3

Property Name	Value
Molecular Formula	C14H21N3O3
Molecular Weight	279.34
AlogP	1.81
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	87.43
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C14H21N3O3

Molecular Weight

279.34

AlogP

1.81

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

87.43

Molecular species

BASE

Aromatic Rings

1.0

Heavy Atoms

20.0

Mechanism of Action	Action	Reference
DNA inhibitor	INHIBITOR	PubMed Wikipedia

Mechanism of Action

Action

Reference

DNA inhibitor

INHIBITOR

PubMed Wikipedia

Resources	Reference
ChEBI	78416
ChEMBL	CHEMBL847
DrugBank	DB01096
DrugCentral	2009
FDA SRS	00BCY677OT
Human Metabolome Database	HMDB0015228
KEGG	C07341
PharmGKB	PA164748782
PubChem	4612
SureChEMBL	SCHEMBL44921

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

KEGG

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

OXAMNIQUINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References