Compound Detail
CHEMBL2048504
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Basic Information
| ChEMBL ID | CHEMBL2048504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLOHNUCSNZDDJO-DUXPYHPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
1.92
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 4.9 | 4.9 | 12490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 12490.0 | nM | 4.9 | Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by f... | 22658537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22658537 | 10.1016/j.bmc.2012.04.063 | Matrix metalloproteinase-9 | 2 |
| 22658537 | 10.1016/j.bmc.2012.04.063 | Interstitial collagenase | 1 |
| 22658537 | 10.1016/j.bmc.2012.04.063 | 72 kDa type IV collagenase | 1 |
| 22658537 | 10.1016/j.bmc.2012.04.063 | Stromelysin-1 | 1 |
| 22658537 | 10.1016/j.bmc.2012.04.063 | Macrophage metalloelastase | 1 |
| 22658537 | 10.1016/j.bmc.2012.04.063 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine