Compound Detail
CHEMBL134440
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 | CHEMBL134440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNDRARDTWAJOKU-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
1.70
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine protease 1 CHEMBL209 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Chymotrypsin-like elastase family member 2A CHEMBL2407 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cathepsin G CHEMBL4071 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Chymotrypsinogen B CHEMBL4796 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Chymase CHEMBL4068 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine protease 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory activity against porcine pancreatic trypsin (TRP) | 10091694 |
| Chymotrypsin-like elastase family member 2A | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against porcine pancreatic elastase (PPE) | 10091694 |
| Cathepsin G | IC50 | = | 3100.0 | nM | 5.51 | Inhibitory activity against human leukocyte cathepsin G (h-CG) | 10091694 |
| Chymotrypsinogen B | IC50 | = | 4600.0 | nM | 5.34 | Inhibitory activity against bovine pancreatic alpha-chymotrypsin (alpha-CT) | 10091694 |
| Chymase | IC50 | = | 40000.0 | nM | 4.4 | Inhibitory activity against human chymase (h-chymase) | 10091694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091694 | 10.1016/s0960-894x(99)00012-8 | Chymase | 1 |
| 10091694 | 10.1016/s0960-894x(99)00012-8 | Chymotrypsinogen B | 1 |
| 10091694 | 10.1016/s0960-894x(99)00012-8 | Cathepsin G | 1 |
| 10091694 | 10.1016/s0960-894x(99)00012-8 | Chymotrypsin-like elastase family member 2A | 1 |
| 10091694 | 10.1016/s0960-894x(99)00012-8 | Serine protease 1 | 1 |
Data from ChEMBL 36 via Core Engine