Compound Detail
CHEMBL1809245
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N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)N2CCN(Cc3ccccc3)CC2)NS(=O)(=O)Cc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1809245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZAUWJFJROXMSN-JSOSNVBQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
673.8
MW (Da)
1.80
ALogP
7
HBA
4
HBD
169.0
PSA (Ų)
0.16
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transmembrane protease serine 11D CHEMBL1795138 | Ki | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transmembrane protease serine 11D | Ki | = | 158.0 | nM | 6.8 | Inhibition of human recombinant airway trypsin-like protease HAT using D-cyclohe... | 21741839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741839 | 10.1016/j.bmcl.2011.06.033 | Transmembrane protease serine 11D | 1 |
Data from ChEMBL 36 via Core Engine