Compound Detail
CHEMBL140958
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
Basic Information
| ChEMBL ID | CHEMBL140958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTIRQLXQCVZDJU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
372.8
MW (Da)
4.88
ALogP
4
HBA
2
HBD
80.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.56 | 4.56 | 27600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 48.0 | hr | Sus scrofa |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 27600.0 | nM | 4.56 | In vitro inhibitory potency was tested against botulinum neurotoxin/B (BoNT/B) e... | 14561084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7853347 | 10.1021/jm00003a017 | Neutrophil elastase | 1 |
| 7853347 | 10.1021/jm00003a017 | Chymotrypsin-like elastase family member 2A | 1 |
| 7853347 | 10.1021/jm00003a017 | Chymotrypsinogen A | 1 |
| 7853347 | 10.1021/jm00003a017 | Sus scrofa | 1 |
| 14561084 | 10.1021/jm0300680 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine