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Compound Detail

CHEMBL4852831

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COc1cc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4852831
Phase Preclinical
Structure Type MOL
InChI Key UAZHPECELNHBFJ-WJTDDFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
5.39
ALogP
4
HBA
0
HBD
43.3
PSA (Ų)
0.57
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2O3
MW 388.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
33862516 10.1016/j.ejmech.2021.113418 Unchecked 2
33862516 10.1016/j.ejmech.2021.113418 Class A carbapenemase KPC-2 1

Data from ChEMBL 36 via Core Engine