Compound Detail
CHEMBL591321
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Basic Information
| ChEMBL ID | CHEMBL591321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJPODVJJWNQXJU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
3.28
ALogP
4
HBA
2
HBD
82.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | Kd | 4.96 | 4.865 | 11000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | Kd | = | 11000.0 | nM | 4.96 | Binding affinity to stromelysin-1 catalytic domain | 19942433 |
| Stromelysin-1 | Kd | = | 17000.0 | nM | 4.77 | Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli... | 19942433 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19942433 | 10.1016/j.bmcl.2009.10.114 | Stromelysin-1 | 2 |
Data from ChEMBL 36 via Core Engine