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Compound Detail

CHEMBL3742072

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CCCOc1nccc2c(-c3cnc(-c4ccc(COP(=O)([O-])[O-])nc4)s3)n[nH]c12.[Na+].[Na+]

Basic Information

ChEMBL ID CHEMBL3742072
Phase Preclinical
Structure Type MOL
InChI Key OGAQAOLTNMCISL-UHFFFAOYSA-L
Parent Compound CHEMBL3742419
Active Moiety CHEMBL3742419
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

447.4
MW (Da)
3.54
ALogP
8
HBA
3
HBD
143.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N5Na2O5PS
MW 491.38
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
26487916 10.1021/acsmedchemlett.5b00266 Staphylococcus aureus 3
26487916 10.1021/acsmedchemlett.5b00266 DNA gyrase subunit B 1
26487916 10.1021/acsmedchemlett.5b00266 Streptococcus pneumoniae 1
26487916 10.1021/acsmedchemlett.5b00266 Enterococcus faecium 1
26487916 10.1021/acsmedchemlett.5b00266 Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine