Compound Detail
CHEMBL304354
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2ccccc2)c1=O)C(=O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL304354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZFRFWFGIWBTRS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
535.5
MW (Da)
3.59
ALogP
6
HBA
2
HBD
114.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 8.22 | 8.22 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 6.0 | nM | 8.22 | In vitro inhibition constant (Ki) against human leukocyte elastase (HLE-catalyze... | 7837235 |
| Neutrophil elastase | Ki | = | 6.0 | nM | 8.22 | Binding affinity against human leukocyte elastase (HLE) enzyme | 7932559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7837235 | 10.1021/jm00001a028 | Cricetinae gen. sp. | 3 |
| 7932559 | 10.1021/jm00046a016 | No relevant target | 3 |
| 7932559 | 10.1021/jm00046a016 | Cricetinae gen. sp. | 2 |
| 7837235 | 10.1021/jm00001a028 | Neutrophil elastase | 1 |
| 7932559 | 10.1021/jm00046a016 | Neutrophil elastase | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine