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Compound Detail

CHEMBL5084154

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O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)C1c1cccc(O)c1)c1cc2ccccc2o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5084154
Phase Preclinical
Structure Type MOL
InChI Key UPNAIHXJKPBLJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

559.6
MW (Da)
6.20
ALogP
9
HBA
2
HBD
116.8
PSA (Ų)
0.14
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 C28H18FN3O5S2
MW 559.60
Aromatic Rings 5
Heavy Atoms 39
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
34657423 10.1021/acs.jmedchem.1c00939 Enterococcus faecalis 7
34657423 10.1021/acs.jmedchem.1c00939 Unchecked 4
34657423 10.1021/acs.jmedchem.1c00939 Vero 1

Data from ChEMBL 36 via Core Engine