Compound Detail
CHEMBL286319
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Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(Cc2ccccc2)C(=O)c2nc3cc(-c4ccccc4)ccc3o2)c1=O
Basic Information
| ChEMBL ID | CHEMBL286319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFDZXYJVOIPVDN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
587.6
MW (Da)
5.05
ALogP
8
HBA
2
HBD
133.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymase CHEMBL4068 | Ki | 6.76 | 6.76 | 174.0 | 1 |
| Chymotrypsin-C CHEMBL2386 | Ki | 5.79 | 5.79 | 1630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymase | Ki | = | 174.0 | nM | 6.76 | inhibitory activity was evaluated against chymase from human heart. | 11312927 |
| Chymotrypsin-C | Ki | = | 1630.0 | nM | 5.79 | Inhibitory activity against alpha chymotrypsin from bovine pancreas. | 11312927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11312927 | 10.1021/jm000496v | Chymase | 1 |
| 11312927 | 10.1021/jm000496v | Chymotrypsin-C | 1 |
Data from ChEMBL 36 via Core Engine