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Compound Detail

CHEMBL262956

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CC(C)C(NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(N)c1=O)C(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL262956
Phase Preclinical
Structure Type MOL
InChI Key DVNRYIBEOOQVDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
2.04
ALogP
6
HBA
2
HBD
107.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17F5N4O3
MW 432.35
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.03

Activity Summary

Ki 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil elastase
CHEMBL248
 Ki 6.57 6.57 270.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutrophil elastase Ki = 270.0 nM 6.57 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