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Compound Detail

CHEMBL5200681

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O=c1c2ccccc2ncn1CCC[C@@H]1CCCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5200681
Phase Preclinical
Structure Type MOL
InChI Key RKORECUFBYSJJT-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.32
ALogP
4
HBA
1
HBD
46.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N3O
MW 271.36
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.56

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