Compound Detail
CHEMBL5928788
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Basic Information
| ChEMBL ID | CHEMBL5928788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INOCVMCIBUBQTR-YDWXAUTNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
2.14
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of MMPs: It has been observed that 50 and 100 μM concentrations of cu... | - |
| Collagenase 3 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of MMPs: It has been observed that 50 and 100 μM concentrations of cu... | - |
| 72 kDa type IV collagenase | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of MMPs: It has been observed that 50 and 100 μM concentrations of cu... | - |
Data from ChEMBL 36 via Core Engine