Compound Detail
CHEMBL5972028
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Basic Information
| ChEMBL ID | CHEMBL5972028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCENTKLGWWEJOU-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
1.37
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 CHEMBL2285 | IC50 | 6.56 | 6.56 | 274.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.44 | 6.44 | 361.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 5.62 | 5.62 | 2370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 72 kDa type IV collagenase | IC50 | = | 250.0 | nM | 6.6 | In Vitro Assay: MMP2: Protocol 1: The basis for the assay is the cleavage of the... | - |
| A disintegrin and metalloproteinase with thrombospondin motifs 5 | IC50 | = | 274.0 | nM | 6.56 | In Vitro Assay: ADAMTS-5:Protocol 1: The basis for the assay is the cleavage of ... | - |
| Unchecked | IC50 | = | 361.0 | nM | 6.44 | In Vitro Assay: ADAMTS-4:The basis for the assay is the cleavage of the substrat... | - |
| Collagenase 3 | IC50 | = | 2370.0 | nM | 5.62 | In Vitro Assay: MMP-13(2): The basis for the assay is the cleavage of the substr... | - |
Data from ChEMBL 36 via Core Engine