Compound Detail
CHEMBL277672
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@H](NC(=O)Cn1c(-c2ccc(F)cc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)c2ccccc2)o1
Basic Information
| ChEMBL ID | CHEMBL277672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAEGBXIWQZHRAP-QFIPXVFZSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
532.6
MW (Da)
3.36
ALogP
9
HBA
2
HBD
146.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 9.28 | 9.28 | 0.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 0.52 | nM | 9.28 | Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-V... | 11150162 |
| Neutrophil elastase | Ki | = | 0.52 | nM | 9.28 | Binding constant derived from inhibition of elastase catalyzed hydrolysis of syn... | 11312926 |
| Neutrophil elastase | Ki | = | 0.52 | nM | 9.28 | Inhibition of human neutrophil elastase | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150162 | 10.1021/jm0004087 | Neutrophil elastase | 2 |
| 11312926 | 10.1021/jm000410y | Neutrophil elastase | 1 |
| 11312926 | 10.1021/jm000410y | Cricetinae gen. sp. | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Neutrophil elastase | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Hamster | 1 |
Data from ChEMBL 36 via Core Engine