Compound Detail
CHEMBL83685
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Basic Information
| ChEMBL ID | CHEMBL83685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKUYLANQOAKALN-LJQANCHMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
2.81
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage metalloelastase CHEMBL2594 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Stromelysin-1 CHEMBL283 | Ki | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage metalloelastase | IC50 | = | 13.0 | nM | 7.89 | Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]ela... | 9871508 |
| Stromelysin-1 | Ki | = | 23.0 | nM | 7.64 | Inhibition activity against recombinant human stromelysin (Matrix metalloproteas... | 9258358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871508 | 10.1016/s0960-894x(98)00142-5 | Macrophage metalloelastase | 1 |
| 9258358 | 10.1021/jm960871c | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine