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Compound Detail

CHEMBL4753872

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N#Cc1nn(Cc2ccccc2)c2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4753872
Phase Preclinical
Structure Type MOL
InChI Key UNKMOJIVFXXHTB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
2.35
ALogP
4
HBA
0
HBD
54.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10N4
MW 234.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.87

Literature References

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

Data from ChEMBL 36 via Core Engine