Compound Detail
CHEMBL5283286
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5283286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHPNKVRYCBRQPZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
0.48
ALogP
7
HBA
2
HBD
112.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 6.74 | 6.74 | 184.0 | 1 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.03 | 6.03 | 944.0 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 4.56 | 4.56 | 27680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of recombinant human MMP9 using Mca-Pro-Leu-Dpa-Ala-Arg-NH2 as substr... | 32224379 |
| Collagenase 3 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of recombinant human MMP13 using Mca-Pro-Leu-Dpa-Ala-Arg-NH2 as subst... | 32224379 |
| Stromelysin-1 | IC50 | = | 184.0 | nM | 6.74 | Inhibition of recombinant human MMP3 expressed in Escherichia coli BL21 (DE3) us... | 32224379 |
| Interstitial collagenase | IC50 | = | 944.0 | nM | 6.03 | Inhibition of recombinant human MMP1 expressed in Escherichia coli BL21 (DE3) us... | 32224379 |
| Matrilysin | IC50 | = | 27680.0 | nM | 4.56 | Inhibition of recombinant human MMP7 using Mca-Pro-Leu-Dpa-Ala-Arg-NH2 as substr... | 32224379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32224379 | 10.1016/j.ejmech.2020.112260 | Interstitial collagenase | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Stromelysin-1 | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Matrilysin | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Matrix metalloproteinase-9 | 1 |
| 32224379 | 10.1016/j.ejmech.2020.112260 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine