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Compound Detail

CHEMBL5209504

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O=C(C[C@@H]1CCCCN1)Cn1cnc2ccc(C(F)(F)F)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5209504
Phase Preclinical
Structure Type MOL
InChI Key XNDXKHYBYKOBBF-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
2.52
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18F3N3O2
MW 353.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
36394909 10.1021/acs.jmedchem.2c01496 Staphylococcus aureus 4
36394909 10.1021/acs.jmedchem.2c01496 Unchecked 3
36394909 10.1021/acs.jmedchem.2c01496 Escherichia coli 1
36394909 10.1021/acs.jmedchem.2c01496 Shigella flexneri 1
36394909 10.1021/acs.jmedchem.2c01496 Salmonella typhi 1

Data from ChEMBL 36 via Core Engine