EcoDrugPlus


Synonyms	Hymexazol
Molecule Category	Free-form
UNII	20T2M875LO
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 ...

Synonyms

Hymexazol

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	KGVPNLBXJKTABS-UHFFFAOYSA-N
Smiles	Cc1onc(O)c1
InChI	InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)

InChI Key

KGVPNLBXJKTABS-UHFFFAOYSA-N

Smiles

Cc1onc(O)c1

InChI

InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)

Property Name	Value
Molecular Formula	C4H5NO2
Molecular Weight	99.09
AlogP	0.73
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	46.26
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H5NO2

Molecular Weight

99.09

AlogP

0.73

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

46.26

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

7.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cytospora	-	-	-	-	57.3
Fusarium oxysporum	-	-	-	-	58.4

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Cytospora

57.3

Fusarium oxysporum

58.4

Resources	Reference
ChEMBL	CHEMBL244877
FDA SRS	20T2M875LO
PubChem	24781
SureChEMBL	SCHEMBL20728

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

HYMEXAZOL

Structure

Physicochemical Descriptors

Pharmacology

Cross References