Compound Detail
CHEMBL3655699
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N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CCN)c2)C(=O)N2CCC(C(=O)OCc3ccccc3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL3655699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCMLMPOXZOHJKS-NDEPHWFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
634.8
MW (Da)
2.13
ALogP
8
HBA
5
HBD
197.8
PSA (Ų)
0.11
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 0.7 | nM | 9.15 | Inhibition Assay: Inhibition assay using matriptase enzyme | - |
Data from ChEMBL 36 via Core Engine