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Compound Detail

CHEMBL4871170

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COc1ccc(N2/C(=N/c3ccccc3)CC2c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4871170
Phase Preclinical
Structure Type MOL
InChI Key UCWQAHRPAGTPKZ-XTQSDGFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
4.77
ALogP
3
HBA
0
HBD
37.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O
MW 329.40
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.78

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