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Compound Detail

CHEMBL4436570

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CC(C)(C)OC(=O)NCCNC(=O)c1cn(C2CC2)c2cc(N3CCN(C(=S)Nc4ccc(C(F)(F)F)cc4)CC3)c(F)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436570
Phase Preclinical
Structure Type MOL
InChI Key FNWQKDGPJXIJPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

676.7
MW (Da)
5.27
ALogP
7
HBA
3
HBD
107.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H36F4N6O4S
MW 676.74
Aromatic Rings 3
Heavy Atoms 47
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
31307763 10.1016/j.bmc.2019.06.025 Staphylococcus aureus 2
31307763 10.1016/j.bmc.2019.06.025 Escherichia coli 1

Data from ChEMBL 36 via Core Engine