Compound Detail
CHEMBL418655
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Basic Information
| ChEMBL ID | CHEMBL418655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBLCSCFFNCADJO-MYUZEXMDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
2.48
ALogP
5
HBA
2
HBD
88.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Matrix metalloproteinase-9 CHEMBL321 | Ki | 6.46 | 6.46 | 349.0 | 1 |
| Interstitial collagenase CHEMBL332 | Ki | 6.12 | 6.12 | 759.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Matrix metalloproteinase-9 | Ki | = | 349.0 | nM | 6.46 | Inhibitory activity against matrix metalloprotease-9 (MMP-9)(gelatinase-B). | 11831904 |
| Interstitial collagenase | Ki | = | 759.0 | nM | 6.12 | Inhibitory activity against matrix metalloprotease-1 (MMP-1)(recombinant human c... | 11831904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12781187 | 10.1016/s0960-894x(03)00292-0 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 12781187 | 10.1016/s0960-894x(03)00292-0 | Interstitial collagenase | 1 |
| 12781187 | 10.1016/s0960-894x(03)00292-0 | Stromelysin-1 | 1 |
| 12781187 | 10.1016/s0960-894x(03)00292-0 | Matrix metalloproteinase-9 | 1 |
| 11831904 | 10.1021/jm0103211 | Interstitial collagenase | 1 |
| 11831904 | 10.1021/jm0103211 | Stromelysin-1 | 1 |
| 11831904 | 10.1021/jm0103211 | Matrix metalloproteinase-9 | 1 |
| 11831904 | 10.1021/jm0103211 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 11831904 | 10.1021/jm0103211 | Disintegrin and metalloproteinase domain-containing protein 9 | 1 |
Data from ChEMBL 36 via Core Engine