Compound Detail
CHEMBL5954874
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Basic Information
| ChEMBL ID | CHEMBL5954874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGDSIMSIIUZPPX-WFYKWJGLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
3.73
ALogP
4
HBA
1
HBD
49.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil collagenase CHEMBL4588 | IC50 | 4.55 | 4.55 | 28000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil collagenase | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of MMPs: It has been observed that 50 and 100 μM concentrations of cu... | - |
| Neutrophil collagenase | IC50 | = | 28000.0 | nM | 4.55 | Inhibition Assay: Table 1 shows the IC50 of curcumin, compound 1, and compound 2... | - |
Data from ChEMBL 36 via Core Engine