Compound Detail
CHEMBL50209
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Basic Information
| ChEMBL ID | CHEMBL50209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZDALJROFHNCEI-FWJOYPJLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.08
ALogP
3
HBA
4
HBD
111.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of matrix metalloprotease-1 | 12729664 |
| 72 kDa type IV collagenase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Matrix metalloprotease-2 | 12729664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729664 | 10.1016/s0960-894x(03)00214-2 | Interstitial collagenase | 1 |
| 12729664 | 10.1016/s0960-894x(03)00214-2 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine