Compound Detail
CHEMBL3915135
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Basic Information
| ChEMBL ID | CHEMBL3915135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYWBYEKCMUYXGS-JMQWPVDRSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
2.77
ALogP
8
HBA
2
HBD
119.4
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 15000.0 | nM | 4.82 | In vitro MMP-8 Assay: The synthetic octapeptide substrate, containing the collag... | - |
| Matrix metalloproteinase-9 | IC50 | = | 16000.0 | nM | 4.8 | In vitro MMP-8 Assay: The synthetic octapeptide substrate, containing the collag... | - |
| Neutrophil collagenase | IC50 | = | 35000.0 | nM | 4.46 | In vitro MMP-8 Assay: The synthetic octapeptide substrate, containing the collag... | - |
| 72 kDa type IV collagenase | IC50 | = | 48000.0 | nM | 4.32 | In vitro MMP-8 Assay: The synthetic octapeptide substrate, containing the collag... | - |
Data from ChEMBL 36 via Core Engine