Compound Detail
CHEMBL36615
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Basic Information
| ChEMBL ID | CHEMBL36615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJDJFIONJBJENE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.45
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Stromelysin-1 CHEMBL283 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Stromelysin-1 | IC50 | = | 62.0 | nM | 7.21 | In vitro inhibition of Matrix metalloprotease-3 | 11412979 |
| 72 kDa type IV collagenase | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibition of Matrix metalloprotease-2 | 11412979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412979 | 10.1016/s0960-894x(01)00031-2 | 72 kDa type IV collagenase | 1 |
| 11412979 | 10.1016/s0960-894x(01)00031-2 | Stromelysin-1 | 1 |
| 11412979 | 10.1016/s0960-894x(01)00031-2 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine