EcoDrugPlus


Molecule Category	Free-form
UNII	OW5H814Y1I
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Molecule Category

Free-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	USGUVNUTPWXWBA-HNQUOIGGSA-N
Smiles	NCCO\C=C\C(N)C(=O)O
InChI	InChI=1S/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+

InChI Key

USGUVNUTPWXWBA-HNQUOIGGSA-N

Smiles

NCCO\C=C\C(N)C(=O)O

InChI

InChI=1S/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+

Property Name	Value
Molecular Formula	C6H12N2O3
Molecular Weight	160.17
AlogP	-4.35
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	98.57
Molecular species	ZWITTERION
Aromatic Rings	0.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C6H12N2O3

Molecular Weight

160.17

AlogP

-4.35

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

98.57

Molecular species

ZWITTERION

Aromatic Rings

0.0

Heavy Atoms

11.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Arabidopsis thaliana	-	700	-	15	100

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Arabidopsis thaliana

700

100

Resources	Reference
ChEMBL	CHEMBL1972647
FDA SRS	OW5H814Y1I
SureChEMBL	SCHEMBL721664

Resources

Reference

ChEMBL

CHEMBL1972647

FDA SRS

OW5H814Y1I

SureChEMBL

SCHEMBL721664

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

AMINOETHOXYVINYLGLYCINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References