EcoDrugPlus


Synonyms	FEMA NO. 4015 NSC-400221 P-diazine Piazine Pyrazine
Status
Molecule Category	Free-form
UNII	2JKE371789
EPA CompTox	DTXSID8049410

Synonyms

FEMA NO. 4015

NSC-400221

P-diazine

Piazine

Pyrazine

Status

Molecule Category

Free-form

UNII

2JKE371789

EPA CompTox

DTXSID8049410


InChI Key	KYQCOXFCLRTKLS-UHFFFAOYSA-N
Smiles	c1cnccn1
InChI	InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H

InChI Key

KYQCOXFCLRTKLS-UHFFFAOYSA-N

Smiles

c1cnccn1

InChI

InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H

Property Name	Value
Molecular Formula	C4H4N2
Molecular Weight	80.09
AlogP	0.48
Hydrogen Bond Acceptor	2.0
Polar Surface Area	25.78
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	6.0

Property Name

Value

Molecular Formula

C4H4N2

Molecular Weight

80.09

AlogP

0.48

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

6.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1	-	-	-	-	12

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	12

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

Resources	Reference
ChEBI	30953
ChEMBL	CHEMBL15797
FDA SRS	2JKE371789
Human Metabolome Database	HMDB0034176
PubChem	9261
SureChEMBL	SCHEMBL5179
ZINC	ZINC000001692439

Resources

Reference

ChEBI

30953

ChEMBL

CHEMBL15797

FDA SRS

2JKE371789

Human Metabolome Database

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

PYRAZINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References