Compound Detail
CHEMBL49833
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Basic Information
| ChEMBL ID | CHEMBL49833 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSMCSZQEOPGKEA-QHELBMECSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
1.64
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | IC50 | = | 770.0 | nM | 6.11 | Inhibition of Matrix Metallo Proteinase-1 (MMP-1) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00303-4 | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine