ACX-362E   Click here for help

GtoPdb Ligand ID: 11030

Synonyms: ACX362E | ibezapolstat
Compound class: Synthetic organic
Comment: ACX-362E is a clinical stage bacterial DNA polymerase IIIC inhibitor that is in development as a novel therapeutic against C. difficile infection [1-2].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 88.07
Molecular weight 422.1
XLogP 2.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1Cl)CNc1nc2ncn(c2c(=O)[nH]1)CCN1CCOCC1
Isomeric SMILES Clc1ccc(cc1Cl)CNc1nc2ncn(c2c(=O)[nH]1)CCN1CCOCC1
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1H-purin-6-one
Synonyms Click here for help
ACX362E | ibezapolstat
Database Links Click here for help
Specialist databases
Antibiotic DB Antibiotic DB Database logo 1231
Other databases
CAS Registry No. 1275582-97-2 (source: ChemIDplus)
GtoPdb PubChem SID 405560471
PubChem CID 136022209
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