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Compound Detail

CHEMBL4645579

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O=C(Nc1nc2ccc(Cl)cc2s1)c1c(O)c2cccc3c2n(c1=O)CCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4645579
Phase Preclinical
Structure Type MOL
InChI Key WAFZLRGECFKBPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

411.9
MW (Da)
4.17
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14ClN3O3S
MW 411.87
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.69

Literature References

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

Data from ChEMBL 36 via Core Engine