EcoDrugPlus


Synonyms	Irsogladine Irsogladine maleate NSC-759836
Status
Molecule Category	Free-form
UNII	QBX79NZC1D
EPA CompTox	DTXSID8043999

Synonyms

Irsogladine

Irsogladine maleate

NSC-759836

Status

Molecule Category

Free-form

UNII

QBX79NZC1D

EPA CompTox

DTXSID8043999


InChI Key	ATCGGEJZONJOCL-UHFFFAOYSA-N
Smiles	Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1
InChI	InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)

InChI Key

ATCGGEJZONJOCL-UHFFFAOYSA-N

Smiles

Nc1nc(N)nc(-c2cc(Cl)ccc2Cl)n1

InChI

InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)

Property Name	Value
Molecular Formula	C9H7Cl2N5
Molecular Weight	256.1
AlogP	2.01
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	90.71
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C9H7Cl2N5

Molecular Weight

256.1

AlogP

2.01

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

90.71

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

16.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Rattus norvegicus	-	-	-	-	100

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Rattus norvegicus

100

Resources	Reference
CAS NUMBER	57381-26-7
ChEBI	93307
ChEMBL	CHEMBL136497
DrugBank	DB13056
DrugCentral	1484
FDA SRS	QBX79NZC1D
PubChem	3752
SureChEMBL	SCHEMBL62215
ZINC	ZINC000000002645

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 27^th July 2026

IRSOGLADINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References