Compound Detail
CHEMBL3392650
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Basic Information
| ChEMBL ID | CHEMBL3392650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MAVDNGWEBZTACC-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
0.45
ALogP
7
HBA
3
HBD
116.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 10 CHEMBL5028 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 9 CHEMBL5982 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.84 | 6.84 | 145.0 | 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 | = | 5.0 | nM | 8.3 | Enzyme Assay: The molecules are tested in dose-response studies on the following... | - |
| Stromelysin-1 | IC50 | = | 10.0 | nM | 8.0 | Enzyme Assay: The molecules are tested in dose-response studies on the following... | - |
| Disintegrin and metalloproteinase domain-containing protein 10 | IC50 | = | 71.0 | nM | 7.15 | Enzyme Assay: The molecules are tested in dose-response studies on the following... | - |
| Matrix metalloproteinase-9 | IC50 | = | 82.0 | nM | 7.09 | Enzyme Assay: The molecules are tested in dose-response studies on the following... | - |
| Disintegrin and metalloproteinase domain-containing protein 9 | IC50 | = | 85.0 | nM | 7.07 | Enzyme Assay: The molecules are tested in dose-response studies on the following... | - |
| Interstitial collagenase | IC50 | = | 145.0 | nM | 6.84 | Enzyme Assay: The molecules are tested in dose-response studies on the following... | - |
Data from ChEMBL 36 via Core Engine