Compound Detail
CHEMBL24647
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COC(=O)c1ccc2oc(C(=O)C(Cc3ccccc3)NC(=O)Cn3c(-c4cccnc4)ncc(N)c3=O)nc2c1
Basic Information
| ChEMBL ID | CHEMBL24647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFOPCPCAHKTADE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
2.43
ALogP
11
HBA
2
HBD
172.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Chymotrypsinogen A CHEMBL3314 | Ki | 7.35 | 7.35 | 45.1 | 1 |
| Chymase CHEMBL4068 | Ki | 7.11 | 7.11 | 77.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Chymotrypsinogen A | Ki | = | 45.1 | nM | 7.35 | Inhibitory activity against alpha chymotrypsin from bovine pancreas. | 11312927 |
| Chymase | Ki | = | 77.4 | nM | 7.11 | inhibitory activity was evaluated against chymase from human heart. | 11312927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11312927 | 10.1021/jm000496v | Chymase | 1 |
| 11312927 | 10.1021/jm000496v | Chymotrypsinogen A | 1 |
Data from ChEMBL 36 via Core Engine