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Compound Detail

CHEMBL1495107

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O=C(Nc1nccs1)c1c(O)c2cccc3c2n(c1=O)CCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1495107
Phase Preclinical
Structure Type MOL
InChI Key NTLLMIRIELGOBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.36
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N3O3S
MW 327.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
32146051 10.1016/j.bmcl.2020.127071 Streptococcus pneumoniae 3

Data from ChEMBL 36 via Core Engine