Compound Detail
CHEMBL5205275
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Basic Information
| ChEMBL ID | CHEMBL5205275 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAPWKGYKWPYSDL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.00
ALogP
4
HBA
3
HBD
112.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
| Matrix metalloproteinase-9 CHEMBL321 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 0.588 | nM | 9.23 | Inhibition of MMP-2 (unknown origin) | 35969157 |
| Matrix metalloproteinase-9 | IC50 | = | 1.19 | nM | 8.92 | Inhibition of MMP-9 (unknown origin) | 35969157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35969157 | 10.1021/acs.jmedchem.1c01855 | 72 kDa type IV collagenase | 1 |
| 35969157 | 10.1021/acs.jmedchem.1c01855 | Matrix metalloproteinase-9 | 1 |
Data from ChEMBL 36 via Core Engine