Compound Detail
CHEMBL155815
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Basic Information
| ChEMBL ID | CHEMBL155815 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGYWYFYJBJBYQH-HSZRJFAPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
3.07
ALogP
4
HBA
2
HBD
92.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against human gelatinase A (matrix metalloprotease-2 MMP2) | 9484512 |
| Matrix metalloproteinase-9 | IC50 | = | 7800.0 | nM | 5.11 | Inhibitory activity against human gelatinase B (Matrix metalloprotease-9) | 9484512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484512 | 10.1021/jm9707582 | Matrix metalloproteinase-9 | 1 |
| 9484512 | 10.1021/jm9707582 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine