Compound Detail
CHEMBL6030162
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Basic Information
| ChEMBL ID | CHEMBL6030162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KISNQJUMQDMWMF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
0.86
ALogP
5
HBA
2
HBD
91.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 7.85 | 7.85 | 14.0 | 2 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 6.82 | 6.82 | 152.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 14.0 | nM | 7.85 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 14.0 | nM | 7.85 | In Vitro Assay: ADAMTS-5:Protocol 2: The basis for the assay is the cleavage of ... | - |
| 72 kDa type IV collagenase | IC50 | = | 38.0 | nM | 7.42 | In Vitro Assay: MMP2: Protocol 2: The basis for the assay is the cleavage of the... | - |
| Collagenase 3 | IC50 | = | 152.0 | nM | 6.82 | In Vitro Assay: MMP-13:The basis for the assay is the cleavage of the substrate ... | - |
| Collagenase 3 | IC50 | = | 152.0 | nM | 6.82 | In Vitro Assay: MMP-13:The basis for the assay is the cleavage of the substrate ... | - |
Data from ChEMBL 36 via Core Engine