Compound Detail
CHEMBL5818101
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Basic Information
| ChEMBL ID | CHEMBL5818101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLNJDXJDLZQBNJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
1.38
ALogP
5
HBA
2
HBD
94.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.4 | 7.32 | 40.0 | 2 |
| Collagenase 3 CHEMBL280 | IC50 | 5.73 | 5.73 | 1880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 39.0 | nM | 7.41 | In Vitro Assay: ADAMTS-4:The basis for the assay is the cleavage of the substrat... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 40.0 | nM | 7.4 | In Vitro Assay: ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of ... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 58.0 | nM | 7.24 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| Collagenase 3 | IC50 | = | 1880.0 | nM | 5.73 | In Vitro Assay: MMP-13:The basis for the assay is the cleavage of the substrate ... | - |
Data from ChEMBL 36 via Core Engine