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Compound Detail

CHEMBL4744938

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COc1cccc(NC(=O)c2cnc3cc(C)nn3c2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744938
Phase Preclinical
Structure Type MOL
InChI Key MDAVRYRCFRLMAJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
2.61
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N4O2
MW 296.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.40

Literature References

PubMed DOI Target Context # Activities
33218895 10.1016/j.bmc.2020.115836 Neutrophil elastase 1

Data from ChEMBL 36 via Core Engine