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Compound Detail

CHEMBL512737

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C/C(=N\Nc1nc(C)cs1)c1cccc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL512737
Phase Preclinical
Structure Type MOL
InChI Key BBFRZEWKHAVALH-NTEUORMPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.99
ALogP
5
HBA
2
HBD
57.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13N3OS
MW 247.32
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.81

Literature References

PubMed DOI Target Context # Activities
19185501 10.1016/j.bmc.2009.01.004 Staphylococcus aureus 2
19185501 10.1016/j.bmc.2009.01.004 Unchecked 1
19185501 10.1016/j.bmc.2009.01.004 Beta-ketoacyl-[acyl-carrier-protein] synthase III 1
19185501 10.1016/j.bmc.2009.01.004 Escherichia coli 1
19185501 10.1016/j.bmc.2009.01.004 Klebsiella pneumoniae 1
19185501 10.1016/j.bmc.2009.01.004 Enterococcus faecalis 1

Data from ChEMBL 36 via Core Engine