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Compound Detail

CHEMBL275723

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CC(C)C(NC(=O)Cn1ccc2c(O)nc(O)nc2c1=O)C(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275723
Phase Preclinical
Structure Type MOL
InChI Key QADJONDJPFYFSA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.3
MW (Da)
0.47
ALogP
8
HBA
3
HBD
134.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15F3N4O5
MW 388.30
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.10

Activity Summary

Ki 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil elastase
CHEMBL248
 Ki 6.04 6.04 910.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutrophil elastase Ki = 910.0 nM 6.04 Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic su... 8676347

Literature References

PubMed DOI Target Context # Activities
8676347 10.1021/jm950684z No relevant target 2
8676347 10.1021/jm950684z Neutrophil elastase 1

Data from ChEMBL 36 via Core Engine