Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3741250

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOc1nccc2c(-c3cnc(-c4cnc(C(=O)O)cc4C)s3)n[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741250
Phase Preclinical
Structure Type MOL
InChI Key NUFVJXKXTMGKRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.55
ALogP
7
HBA
2
HBD
113.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N5O3S
MW 381.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.07

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