Compound Detail
CHEMBL370685
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Basic Information
| ChEMBL ID | CHEMBL370685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIJHNOWTLZLFTF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
501.4
MW (Da)
2.83
ALogP
6
HBA
2
HBD
91.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 9.0 | 9.0 | 1.0 | 3 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.58 | 7.58 | 26.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 1.0 | nM | 9.0 | In vitro inhibition of human Matrix metalloprotease 9 | 15857146 |
| Matrix metalloproteinase-9 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of MMP-9 (unknown origin) | 34624823 |
| Matrix metalloproteinase-9 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of MMP-9 (unknown origin) | 33656892 |
| 72 kDa type IV collagenase | IC50 | = | 26.0 | nM | 7.58 | In vitro inhibition of human Matrix metalloprotease 2 | 15857146 |
| 72 kDa type IV collagenase | IC50 | = | 26.0 | nM | 7.58 | Inhibition of MMP-2 (unknown origin) | 33656892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857146 | 10.1021/jm049145x | 72 kDa type IV collagenase | 1 |
| 15857146 | 10.1021/jm049145x | Matrix metalloproteinase-9 | 1 |
| 15857146 | 10.1021/jm049145x | Unchecked | 1 |
| 15857146 | 10.1021/jm049145x | No relevant target | 1 |
| 34624823 | 10.1016/j.ejmech.2021.113877 | Matrix metalloproteinase-9 | 1 |
| 33656892 | 10.1021/acs.jmedchem.0c01640 | 72 kDa type IV collagenase | 1 |
| 33656892 | 10.1021/acs.jmedchem.0c01640 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine