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Compound Detail

CHEMBL4061124

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Cc1nc(-c2ccc(F)cc2)oc1-c1csc(-c2ccc(Br)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4061124
Phase Preclinical
Structure Type MOL
InChI Key ZNFKFKPDHMJGDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

415.3
MW (Da)
6.34
ALogP
4
HBA
0
HBD
38.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12BrFN2OS
MW 415.29
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
28411559 10.1016/j.ejmech.2017.03.065 Mycobacterium tuberculosis 10
28411559 10.1016/j.ejmech.2017.03.065 Escherichia coli 4
28411559 10.1016/j.ejmech.2017.03.065 Pseudomonas fluorescens 4
28411559 10.1016/j.ejmech.2017.03.065 Staphylococcus aureus 4
28411559 10.1016/j.ejmech.2017.03.065 Bacillus subtilis 4

Data from ChEMBL 36 via Core Engine