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Compound Detail

CHEMBL5197831

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O=C(C[C@@H]1CCCCN1)Cn1cnc2cc3ccccc3cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5197831
Phase Preclinical
Structure Type MOL
InChI Key YIRIFRJGNHLSGK-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.65
ALogP
5
HBA
1
HBD
64.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O2
MW 335.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.33

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