Compound Detail
CHEMBL403693
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C=CCOC(=O)N[C@@H](CC1CCNC1)C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL403693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNRQNRJCVMXYKJ-KUXBLMNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
543.6
MW (Da)
3.02
ALogP
8
HBA
3
HBD
135.4
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 25.0 | nM | 7.6 | Inhibition of human beta-tryptase | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18053726 | 10.1016/j.bmc.2007.11.015 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine