Compound Detail
CHEMBL3655692
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CCc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)NO)c3)C(=O)N3CCC(CCCC(=O)NC)CC3)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3655692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCWZFVZCAALMKH-HKBQPEDESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
633.8
MW (Da)
4.26
ALogP
6
HBA
5
HBD
151.7
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 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 24000.0 | nM | 4.62 | Inhibition Assay: Inhibition assay using matriptase enzyme | - |
Data from ChEMBL 36 via Core Engine