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Compound Detail

CHEMBL4778211

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COc1cccc(CNC(=O)c2cnc3c(Cl)c(C(C)(C)C)nn3c2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778211
Phase Preclinical
Structure Type MOL
InChI Key NEDWXQZDLCDGIE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.9
MW (Da)
3.93
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.74
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 C20H23ClN4O2
MW 386.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.69

Literature References

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

Data from ChEMBL 36 via Core Engine