Compound Detail
CHEMBL330078
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL330078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGHHCGQENBRXEW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
2.67
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 1800.0 | nM | 5.75 | 50 percent inhibition of human Matrix metalloprotease-2 by the cleavage of fluor... | 11133099 |
| Collagenase 3 | IC50 | = | 2000.0 | nM | 5.7 | 50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluo... | 11133099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11133099 | 10.1016/s0960-894x(00)00584-9 | 72 kDa type IV collagenase | 1 |
| 11133099 | 10.1016/s0960-894x(00)00584-9 | Collagenase 3 | 1 |
| 11133099 | 10.1016/s0960-894x(00)00584-9 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine