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Compound Detail

CHEMBL274567

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CNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274567
Phase Preclinical
Structure Type MOL
InChI Key LIRGOEPJYUZGAZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
2.36
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20F4N4O3
MW 428.39
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil elastase
CHEMBL248
 Ki 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutrophil elastase Ki = 46.0 nM 7.34 In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synth... 7837246

Literature References

PubMed DOI Target Context # Activities
7837246 10.1021/jm00001a015 Cricetinae gen. sp. 3
7837246 10.1021/jm00001a015 Neutrophil elastase 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine