Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5K543KNC5P

Structure

InChI Key DEGSGBKTODESHH-UHFFFAOYSA-N
Smile 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)

Physicochemical Descriptors

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Clostridium Infections 2 D003015 ClinicalTrials

Related Entries

Scaffolds

Cross References

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