Compound Detail
CHEMBL3133269
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CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCc1ccc(-c2cccnc2)cc1)CC(=O)NO
Basic Information
| ChEMBL ID | CHEMBL3133269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQSOVZCSGYFABK-VWNXMTODSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
2.67
ALogP
5
HBA
4
HBD
120.4
PSA (Ų)
0.25
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage metalloelastase CHEMBL4393 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage metalloelastase | Ki | = | 1.0 | nM | 9.0 | Inhibition of human recombinant MMP12 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD20268A | Macrophage metalloelastase | 2 |
Data from ChEMBL 36 via Core Engine