Compound Detail
CHEMBL1834423
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Basic Information
| ChEMBL ID | CHEMBL1834423 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FANDWSFYLCHFFT-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.66
ALogP
6
HBA
2
HBD
89.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | Ki | 7.11 | 5.61 | 78.0 | 2 |
| Matrix metalloproteinase-14 CHEMBL3869 | Ki | 6.58 | 6.58 | 260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | Ki | = | 78.0 | nM | 7.11 | Inhibition of MMP2 (unknown origin) assessed as inhibition constant | 33279289 |
| Matrix metalloproteinase-14 | Ki | = | 260.0 | nM | 6.58 | Inhibition of human recombinant MMP14 catalytic domain assessed as hydrolysis of... | 21866961 |
| Matrix metalloproteinase-14 | Ki | = | 260.0 | nM | 6.58 | Inhibition of MMP14 (unknown origin) assessed as inhibition constant | 33279289 |
| 72 kDa type IV collagenase | Ki | = | 78000.0 | nM | 4.11 | Inhibition of human recombinant MMP2 assessed as hydrolysis of MOCAcPLGLA2pr(Dnp... | 21866961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21866961 | 10.1021/jm200566e | Stromelysin-1 | 1 |
| 21866961 | 10.1021/jm200566e | Interstitial collagenase | 1 |
| 21866961 | 10.1021/jm200566e | Matrilysin | 1 |
| 21866961 | 10.1021/jm200566e | Matrix metalloproteinase-14 | 1 |
| 21866961 | 10.1021/jm200566e | Matrix metalloproteinase-9 | 1 |
| 21866961 | 10.1021/jm200566e | 72 kDa type IV collagenase | 1 |
| 33279289 | 10.1016/j.ejmech.2020.113044 | 72 kDa type IV collagenase | 1 |
| 33279289 | 10.1016/j.ejmech.2020.113044 | Matrix metalloproteinase-9 | 1 |
| 33279289 | 10.1016/j.ejmech.2020.113044 | Matrix metalloproteinase-14 | 1 |
Data from ChEMBL 36 via Core Engine