EcoDrugPlus


Synonyms	GIT 27 GIT-027 VGX 1027 Vgx-1027 Zenuzolac
Status
Molecule Category	Free-form
UNII	AKT814N13R
EPA CompTox	DTXSID50445023

Synonyms

GIT 27

GIT-027

VGX 1027

Vgx-1027

Zenuzolac

Status

Molecule Category

Free-form

UNII

AKT814N13R

EPA CompTox

DTXSID50445023


InChI Key	MUFJHYRCIHHATF-UHFFFAOYSA-N
Smiles	O=C(O)CC1CC(c2ccccc2)=NO1
InChI	InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)

InChI Key

MUFJHYRCIHHATF-UHFFFAOYSA-N

Smiles

O=C(O)CC1CC(c2ccccc2)=NO1

InChI

InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)

Property Name	Value
Molecular Formula	C11H11NO3
Molecular Weight	205.21
AlogP	1.65
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	58.89
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H11NO3

Molecular Weight

205.21

AlogP

1.65

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

58.89

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

15.0

Resources	Reference
ChEMBL	CHEMBL1320667
FDA SRS	AKT814N13R
PubChem	10798271
SureChEMBL	SCHEMBL1404343

Resources

Reference

ChEMBL

FDA SRS

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

VGX-1027

Structure

Physicochemical Descriptors

Cross References