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Compound Detail

CHEMBL298518

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C(=C1c2ccccc2-c2ccccc21)C1CCCNC1

Basic Information

ChEMBL ID CHEMBL298518
Phase Preclinical
Structure Type MOL
InChI Key CDNPPTLQRSZHCA-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
4.10
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N
MW 261.37
Aromatic Rings 2
Heavy Atoms 20

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11931626 10.1021/jm010533y Beta-lactamase 3
11931626 10.1021/jm010533y Chymotrypsin-C 1
11931626 10.1021/jm010533y Unchecked 1

Data from ChEMBL 36 via Core Engine