Compound Detail
CHEMBL5199189
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 | CHEMBL5199189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHSGRRNCQDDQBC-UHFFFAOYSA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
1.77
ALogP
9
HBA
2
HBD
132.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Macrophage metalloelastase CHEMBL4393 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Neutrophil collagenase CHEMBL4588 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
| Stromelysin-2 CHEMBL4270 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
| Stromelysin-1 CHEMBL283 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 7.95 | 7.95 | 11.3 | 1 |
| Matrilysin CHEMBL4073 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 0.3 | nM | 9.52 | Inhibition of MMP-2 (unknown origin) catalytic activity using Ac-PLG-[2-mercapto... | 35969157 |
| Macrophage metalloelastase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of MMP-12 (unknown origin) | 35969157 |
| Collagenase 3 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of MMP-13 (unknown origin) | 35969157 |
| Neutrophil collagenase | IC50 | = | 6.1 | nM | 8.21 | Inhibition of MMP-8 (unknown origin) | 35969157 |
| Stromelysin-2 | IC50 | = | 7.8 | nM | 8.11 | Inhibition of MMP-10 (unknown origin) | 35969157 |
| Matrix metalloproteinase-14 | IC50 | = | 8.2 | nM | 8.09 | Inhibition of MMP-14 (unknown origin) | 35969157 |
| Stromelysin-1 | IC50 | = | 9.6 | nM | 8.02 | Inhibition of MMP-3 (unknown origin) | 35969157 |
| Matrix metalloproteinase-9 | IC50 | = | 11.3 | nM | 7.95 | Inhibition of MMP-9 (unknown origin) catalytic activity using Ac-PLG-[2-mercapto... | 35969157 |
| Matrilysin | IC50 | = | 70.0 | nM | 7.16 | 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 | Stromelysin-1 | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrilysin | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Neutrophil collagenase | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Macrophage metalloelastase | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Collagenase 3 | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrix metalloproteinase-14 | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | 72 kDa type IV collagenase | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrix metalloproteinase-9 | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Stromelysin-2 | 1 |
Data from ChEMBL 36 via Core Engine