Compound Detail
CHEMBL91639
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Basic Information
| ChEMBL ID | CHEMBL91639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCYXSVHFPQZDLY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.26
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 7.05 | 7.05 | 89.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Collagenase 3 | IC50 | = | 89.13 | nM | 7.05 | Inhibitory activity against recombinant human matrix metalloprotease-13 | 12217355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12217355 | 10.1016/s0960-894x(02)00559-0 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine