EcoDrugPlus


Synonyms	ACX-362E Acx-362e Ibezapolstat
Status
Molecule Category	Free-form
UNII	5K543KNC5P

Synonyms

ACX-362E

Acx-362e

Ibezapolstat

Status

Molecule Category

Free-form

UNII

5K543KNC5P


InChI Key	DEGSGBKTODESHH-UHFFFAOYSA-N
Smiles	O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2ncn(CCN3CCOCC3)c12
InChI	InChI=1S/C18H20Cl2N6O2/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27)

InChI Key

DEGSGBKTODESHH-UHFFFAOYSA-N

Smiles

O=c1[nH]c(NCc2ccc(Cl)c(Cl)c2)nc2ncn(CCN3CCOCC3)c12

InChI

InChI=1S/C18H20Cl2N6O2/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27)

Property Name	Value
Molecular Formula	C18H20Cl2N6O2
Molecular Weight	423.3
AlogP	2.37
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	88.07
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C18H20Cl2N6O2

Molecular Weight

423.3

AlogP

2.37

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

88.07

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

28.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Clostridioides difficile	-	-	-	-	40

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Clostridioides difficile

Resources	Reference
ChEMBL	CHEMBL4571518
FDA SRS	5K543KNC5P
Guide to Pharmacology	11030
PubChem	136022209
SureChEMBL	SCHEMBL15908884

Resources

Reference

ChEMBL

CHEMBL4571518

FDA SRS

5K543KNC5P

Guide to Pharmacology

11030

PubChem

136022209

SureChEMBL

SCHEMBL15908884

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

IBEZAPOLSTAT

Structure

Physicochemical Descriptors

Pharmacology

Cross References