Compound Detail
CHEMBL473539
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Basic Information
| ChEMBL ID | CHEMBL473539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIUDGBCTJVXBCM-KRWDZBQOSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
2.87
ALogP
6
HBA
2
HBD
95.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 10.52 | 10.52 | 0.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 10.3 | 10.3 | 0.1 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 9.59 | 9.59 | 0.3 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 9.48 | 9.48 | 0.3 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 0.03 | nM | 10.52 | Inhibition of MMP-13 (unknown origin) | 35969157 |
| 72 kDa type IV collagenase | IC50 | = | 0.05 | nM | 10.3 | Inhibition of MMP-2 (unknown origin) | 35969157 |
| Matrix metalloproteinase-9 | IC50 | = | 0.26 | nM | 9.59 | Inhibition of MMP-9 (unknown origin) | 35969157 |
| Stromelysin-1 | IC50 | = | 0.3 | nM | 9.52 | Inhibition of MMP-3 (unknown origin) | 35969157 |
| Matrix metalloproteinase-14 | IC50 | = | 0.33 | nM | 9.48 | Inhibition of MMP-14 (unknown origin) | 35969157 |
| Interstitial collagenase | IC50 | = | 8.3 | nM | 8.08 | Inhibition of MMP-1 (unknown origin) | 35969157 |
| Matrilysin | IC50 | = | 54.0 | nM | 7.27 | Inhibition of MMP-7 (unknown origin) | 35969157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Interstitial collagenase | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | 72 kDa type IV collagenase | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Stromelysin-1 | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrilysin | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrix metalloproteinase-9 | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Collagenase 3 | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrix metalloproteinase-14 | 1 |
Data from ChEMBL 36 via Core Engine