EcoDrugPlus


Synonyms	Ikorel Nicorandil SG-75 Sigmart
Status
Molecule Category	Free-form
ATC	C01DX16
UNII	260456HAM0
EPA CompTox	DTXSID8045692

Synonyms

Ikorel

Nicorandil

SG-75

Sigmart

Status

Molecule Category

Free-form

ATC

C01DX16

UNII

260456HAM0

EPA CompTox

DTXSID8045692


InChI Key	LBHIOVVIQHSOQN-UHFFFAOYSA-N
Smiles	O=C(NCCO[N+](=O)[O-])c1cccnc1
InChI	InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)

InChI Key

LBHIOVVIQHSOQN-UHFFFAOYSA-N

Smiles

O=C(NCCO[N+](=O)[O-])c1cccnc1

InChI

InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)

Property Name	Value
Molecular Formula	C8H9N3O4
Molecular Weight	211.18
AlogP	0.02
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	94.36
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H9N3O4

Molecular Weight

211.18

AlogP

0.02

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

94.36

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

15.0

Resources	Reference
ChEBI	31905
ChEMBL	CHEMBL284906
DrugBank	DB09220
DrugCentral	1919
FDA SRS	260456HAM0
Guide to Pharmacology	2411
KEGG	C13280
PubChem	47528
SureChEMBL	SCHEMBL34547
ZINC	ZINC000001533102

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Guide to Pharmacology

KEGG

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

NICORANDIL

Structure

Physicochemical Descriptors

Cross References