Compound Detail
CHEMBL3935135
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Basic Information
| ChEMBL ID | CHEMBL3935135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTDRQXAWZXLROA-IBGZPJMESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
1.75
ALogP
6
HBA
3
HBD
103.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 10 CHEMBL5028 | IC50 | 5.51 | 5.51 | 3091.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 5.21 | 5.21 | 6125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 108.0 | nM | 6.97 | TACE Enzyme Assay: The TACE enzyme is an internal production (carried out accord... | - |
| Disintegrin and metalloproteinase domain-containing protein 10 | IC50 | = | 3091.0 | nM | 5.51 | Inhibition Assay: The molecules are tested in dose-response studies on the follo... | - |
| Stromelysin-1 | IC50 | = | 6125.0 | nM | 5.21 | Inhibition Assay: The molecules are tested in dose-response studies on the follo... | - |
Data from ChEMBL 36 via Core Engine