Compound Detail
CHEMBL25884
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CCN(CC)C(=O)CNC(=O)C(F)(F)C(=O)C(Cc1ccccc1)NC(=O)Cn1c(-c2cccc(C)c2)ncc(N)c1=O
Basic Information
| ChEMBL ID | CHEMBL25884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUPSHDKAULEOJB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
596.6
MW (Da)
1.72
ALogP
8
HBA
3
HBD
156.5
PSA (Ų)
0.25
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymase CHEMBL4068 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| Chymotrypsin-C CHEMBL2386 | Ki | 5.71 | 5.71 | 1960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymase | Ki | = | 9.32 | nM | 8.03 | In vitro inhibitory activity was determined against human heart chymase | 11312928 |
| Chymotrypsin-C | Ki | = | 1960.0 | nM | 5.71 | In vitro inhibitory activity was determined against bovine pancreas chymotrypsin | 11312928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11312928 | 10.1021/jm000497n | Chymase | 1 |
| 11312928 | 10.1021/jm000497n | Chymotrypsin-C | 1 |
| 11312928 | 10.1021/jm000497n | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine