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Compound Detail

CHEMBL4745191

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COc1cccc(CNC(=O)c2cnn3c(C)c(C(C)=O)cnc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745191
Phase Preclinical
Structure Type MOL
InChI Key OSLZKZSGTMEELG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.18
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O3
MW 338.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.83

Literature References

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

Data from ChEMBL 36 via Core Engine