Compound Detail
CHEMBL3655694
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CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(NC(=O)C3CNC3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3655694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMKNTQOYJORSIU-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
611.8
MW (Da)
1.17
ALogP
7
HBA
6
HBD
186.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 16.0 | nM | 7.8 | Inhibition Assay: Inhibition assay using matriptase enzyme | - |
Data from ChEMBL 36 via Core Engine