Compound Detail
CHEMBL100620
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Basic Information
| ChEMBL ID | CHEMBL100620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBHLMTWXRYHZBQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
1.57
ALogP
10
HBA
0
HBD
116.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 8.7 | 8.7 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 2.0 | nM | 8.7 | Apparent binding constant Ki=Kon/Koff | - |
| Neutrophil elastase | Ki | = | 2.0 | nM | 8.7 | Ratio of Koff to that of Kon was determined on human leukocyte elastase(HLE) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00030-W | Neutrophil elastase | 3 |
| - | 10.1016/S0960-894X(96)00553-7 | Neutrophil elastase | 2 |
| - | 10.1016/S0960-894X(96)00553-7 | Chymotrypsin-like elastase family member 2A | 1 |
Data from ChEMBL 36 via Core Engine