Compound Detail
CHEMBL199156
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Basic Information
| ChEMBL ID | CHEMBL199156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTDHUKBROBRNMQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.2
MW (Da)
0.49
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interstitial collagenase CHEMBL332 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interstitial collagenase | Ki | = | 3.0 | nM | 8.52 | Binding affinity towards (MMP-1) matrix metalloprotease-1 | 16220975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220975 | 10.1021/jm050196j | Interstitial collagenase | 1 |
Data from ChEMBL 36 via Core Engine